USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 936 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 MET CE :methyl 178:sc= -4.51! (180deg=-4.52!) USER MOD Set 1.2: A 137 LYS NZ :NH3+ -171:sc= 0.368 (180deg=-0.132) USER MOD Set 1.3: A 142 THR OG1 : rot -129:sc= -0.333 USER MOD Set 2.1: A 69 SER OG : rot -20:sc= 0.862 USER MOD Set 2.2: A 71 THR OG1 : rot 32:sc= 0.52 USER MOD Set 3.1: A 45 MET CE :methyl 150:sc= -3.91 (180deg=-7.81!) USER MOD Set 3.2: A 50 GLN : amide:sc= -0.95 K(o=-4.9,f=-9.5!) USER MOD Single : A 1 MET CE :methyl 177:sc= -0.413 (180deg=-0.44) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0.777 (180deg=0.777) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN :FLIP amide:sc=-0.00293 F(o=-1,f=-0.0029) USER MOD Single : A 13 THR OG1 : rot -161:sc= -1.99! USER MOD Single : A 16 GLN :FLIP amide:sc= -1.78 F(o=-8!,f=-1.8) USER MOD Single : A 17 LYS NZ :NH3+ 154:sc= 1.23 (180deg=1.07) USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 21 LYS NZ :NH3+ 156:sc= 0.407 (180deg=0.22) USER MOD Single : A 35 SER OG : rot -90:sc= 0.199 USER MOD Single : A 37 SER OG : rot -123:sc= 1.3 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.00929 USER MOD Single : A 39 LYS NZ :NH3+ 170:sc= -0.0287 (180deg=-0.231) USER MOD Single : A 43 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000824) USER MOD Single : A 47 MET CE :methyl 141:sc= -0.818 (180deg=-4.14!) USER MOD Single : A 51 ASN : amide:sc= 0.943 K(o=0.94,f=-4.8!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 58 GLN : amide:sc= -0.0489 X(o=-0.049,f=0) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -107:sc= -2.61 (180deg=-6.85!) USER MOD Single : A 84 SER OG : rot -127:sc= 1.33 USER MOD Single : A 85 MET CE :methyl 178:sc= -6.65! (180deg=-6.87!) USER MOD Single : A 86 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0865) USER MOD Single : A 89 SER OG : rot -71:sc= 0.189 USER MOD Single : A 90 LYS NZ :NH3+ -173:sc= -0.782 (180deg=-0.786) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD Single : A 153 MET CE :methyl -128:sc= -11.7! (180deg=-21!) USER MOD Single : A 154 MET CE :methyl 156:sc= -1.99 (180deg=-3.24!) USER MOD Single : A 155 GLN : amide:sc= -0.9 K(o=-0.9,f=-1.5) USER MOD Single : A 163 LYS NZ :NH3+ -170:sc= -0.0166 (180deg=-0.122) USER MOD Single : A 165 HIS : no HD1:sc= -0.146 X(o=-0.15,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.332 -11.087 -8.494 1.00 0.00 N ATOM 2 CA MET A 1 -2.156 -10.302 -7.547 1.00 0.00 C ATOM 3 C MET A 1 -2.533 -11.116 -6.311 1.00 0.00 C ATOM 4 O MET A 1 -2.457 -10.611 -5.189 1.00 0.00 O ATOM 5 CB MET A 1 -3.441 -9.830 -8.224 1.00 0.00 C ATOM 6 CG MET A 1 -4.237 -8.873 -7.360 1.00 0.00 C ATOM 7 SD MET A 1 -5.852 -8.464 -8.036 1.00 0.00 S ATOM 8 CE MET A 1 -6.317 -7.123 -6.945 1.00 0.00 C ATOM 0 H1 MET A 1 -1.097 -10.499 -9.319 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.455 -11.389 -8.023 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.864 -11.924 -8.806 1.00 0.00 H new ATOM 0 HA MET A 1 -1.554 -9.448 -7.237 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.193 -9.342 -9.166 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.059 -10.695 -8.466 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.367 -9.313 -6.371 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.665 -7.955 -7.228 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.277 -6.714 -7.259 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.398 -7.496 -5.924 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.559 -6.341 -6.986 1.00 0.00 H new ATOM 20 N ASP A 2 -2.933 -12.372 -6.534 1.00 0.00 N ATOM 21 CA ASP A 2 -3.521 -13.226 -5.496 1.00 0.00 C ATOM 22 C ASP A 2 -4.935 -12.755 -5.172 1.00 0.00 C ATOM 23 O ASP A 2 -5.131 -11.720 -4.523 1.00 0.00 O ATOM 24 CB ASP A 2 -2.677 -13.282 -4.211 1.00 0.00 C ATOM 25 CG ASP A 2 -1.360 -14.011 -4.386 1.00 0.00 C ATOM 26 OD1 ASP A 2 -0.363 -13.373 -4.775 1.00 0.00 O ATOM 27 OD2 ASP A 2 -1.315 -15.232 -4.114 1.00 0.00 O1- ATOM 0 H ASP A 2 -2.858 -12.827 -7.444 1.00 0.00 H new ATOM 0 HA ASP A 2 -3.547 -14.238 -5.899 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -2.479 -12.266 -3.871 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -3.254 -13.773 -3.427 1.00 0.00 H new ATOM 32 N ASP A 3 -5.926 -13.523 -5.620 1.00 0.00 N ATOM 33 CA ASP A 3 -7.330 -13.139 -5.473 1.00 0.00 C ATOM 34 C ASP A 3 -7.795 -13.195 -4.028 1.00 0.00 C ATOM 35 O ASP A 3 -8.923 -12.823 -3.734 1.00 0.00 O ATOM 36 CB ASP A 3 -8.251 -14.008 -6.327 1.00 0.00 C ATOM 37 CG ASP A 3 -8.101 -15.484 -6.025 1.00 0.00 C ATOM 38 OD1 ASP A 3 -7.209 -16.126 -6.614 1.00 0.00 O ATOM 39 OD2 ASP A 3 -8.860 -16.008 -5.186 1.00 0.00 O1- ATOM 0 H ASP A 3 -5.783 -14.417 -6.089 1.00 0.00 H new ATOM 0 HA ASP A 3 -7.390 -12.107 -5.820 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -9.286 -13.709 -6.159 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.036 -13.833 -7.381 1.00 0.00 H new ATOM 44 N ILE A 4 -6.948 -13.672 -3.130 1.00 0.00 N ATOM 45 CA ILE A 4 -7.244 -13.577 -1.704 1.00 0.00 C ATOM 46 C ILE A 4 -7.447 -12.115 -1.336 1.00 0.00 C ATOM 47 O ILE A 4 -8.401 -11.752 -0.648 1.00 0.00 O ATOM 48 CB ILE A 4 -6.120 -14.182 -0.830 1.00 0.00 C ATOM 49 CG1 ILE A 4 -6.332 -13.831 0.645 1.00 0.00 C ATOM 50 CG2 ILE A 4 -4.776 -13.685 -1.297 1.00 0.00 C ATOM 51 CD1 ILE A 4 -5.251 -14.361 1.564 1.00 0.00 C ATOM 0 H ILE A 4 -6.061 -14.123 -3.355 1.00 0.00 H new ATOM 0 HA ILE A 4 -8.150 -14.152 -1.510 1.00 0.00 H new ATOM 0 HB ILE A 4 -6.151 -15.267 -0.931 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -6.382 -12.747 0.747 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -7.295 -14.226 0.968 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -3.992 -14.117 -0.675 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -4.620 -13.980 -2.335 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -4.743 -12.598 -1.220 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.472 -14.071 2.591 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -5.214 -15.448 1.494 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.287 -13.946 1.269 1.00 0.00 H new ATOM 63 N TYR A 5 -6.555 -11.276 -1.844 1.00 0.00 N ATOM 64 CA TYR A 5 -6.602 -9.865 -1.592 1.00 0.00 C ATOM 65 C TYR A 5 -7.592 -9.192 -2.522 1.00 0.00 C ATOM 66 O TYR A 5 -8.239 -8.214 -2.162 1.00 0.00 O ATOM 67 CB TYR A 5 -5.213 -9.285 -1.784 1.00 0.00 C ATOM 68 CG TYR A 5 -4.151 -10.001 -0.983 1.00 0.00 C ATOM 69 CD1 TYR A 5 -3.030 -10.523 -1.610 1.00 0.00 C ATOM 70 CD2 TYR A 5 -4.282 -10.186 0.392 1.00 0.00 C ATOM 71 CE1 TYR A 5 -2.069 -11.209 -0.901 1.00 0.00 C ATOM 72 CE2 TYR A 5 -3.320 -10.867 1.112 1.00 0.00 C ATOM 73 CZ TYR A 5 -2.216 -11.381 0.461 1.00 0.00 C ATOM 74 OH TYR A 5 -1.256 -12.064 1.171 1.00 0.00 O ATOM 0 H TYR A 5 -5.782 -11.567 -2.442 1.00 0.00 H new ATOM 0 HA TYR A 5 -6.932 -9.689 -0.568 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -4.952 -9.328 -2.841 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -5.224 -8.232 -1.501 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.908 -10.389 -2.675 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -5.148 -9.791 0.902 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.204 -11.611 -1.408 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.431 -10.997 2.178 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.509 -12.095 2.117 1.00 0.00 H new ATOM 84 N LYS A 6 -7.703 -9.723 -3.724 1.00 0.00 N ATOM 85 CA LYS A 6 -8.672 -9.219 -4.675 1.00 0.00 C ATOM 86 C LYS A 6 -10.087 -9.447 -4.168 1.00 0.00 C ATOM 87 O LYS A 6 -10.946 -8.600 -4.335 1.00 0.00 O ATOM 88 CB LYS A 6 -8.513 -9.874 -6.028 1.00 0.00 C ATOM 89 CG LYS A 6 -9.323 -9.175 -7.102 1.00 0.00 C ATOM 90 CD LYS A 6 -9.587 -10.082 -8.287 1.00 0.00 C ATOM 91 CE LYS A 6 -10.427 -11.290 -7.902 1.00 0.00 C ATOM 92 NZ LYS A 6 -10.882 -12.039 -9.099 1.00 0.00 N1+ ATOM 0 H LYS A 6 -7.136 -10.500 -4.064 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.492 -8.149 -4.784 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.460 -9.871 -6.310 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.822 -10.917 -5.963 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.271 -8.840 -6.682 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.791 -8.285 -7.437 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.098 -9.519 -9.068 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.638 -10.418 -8.705 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.845 -11.949 -7.258 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.292 -10.964 -7.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -11.452 -12.856 -8.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -11.458 -11.416 -9.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -10.055 -12.371 -9.636 1.00 0.00 H new ATOM 106 N ALA A 7 -10.326 -10.599 -3.549 1.00 0.00 N ATOM 107 CA ALA A 7 -11.625 -10.897 -2.959 1.00 0.00 C ATOM 108 C ALA A 7 -11.924 -9.919 -1.838 1.00 0.00 C ATOM 109 O ALA A 7 -13.082 -9.596 -1.562 1.00 0.00 O ATOM 110 CB ALA A 7 -11.667 -12.324 -2.446 1.00 0.00 C ATOM 0 H ALA A 7 -9.635 -11.342 -3.443 1.00 0.00 H new ATOM 0 HA ALA A 7 -12.389 -10.792 -3.729 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -12.645 -12.525 -2.010 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -11.489 -13.013 -3.272 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.896 -12.461 -1.687 1.00 0.00 H new ATOM 116 N ALA A 8 -10.864 -9.446 -1.198 1.00 0.00 N ATOM 117 CA ALA A 8 -10.978 -8.383 -0.223 1.00 0.00 C ATOM 118 C ALA A 8 -11.396 -7.095 -0.924 1.00 0.00 C ATOM 119 O ALA A 8 -12.219 -6.346 -0.412 1.00 0.00 O ATOM 120 CB ALA A 8 -9.661 -8.199 0.511 1.00 0.00 C ATOM 0 H ALA A 8 -9.913 -9.787 -1.341 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.738 -8.645 0.513 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.761 -7.396 1.242 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.397 -9.125 1.023 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.879 -7.944 -0.204 1.00 0.00 H new ATOM 126 N VAL A 9 -10.834 -6.864 -2.114 1.00 0.00 N ATOM 127 CA VAL A 9 -11.217 -5.729 -2.961 1.00 0.00 C ATOM 128 C VAL A 9 -12.649 -5.901 -3.462 1.00 0.00 C ATOM 129 O VAL A 9 -13.373 -4.931 -3.665 1.00 0.00 O ATOM 130 CB VAL A 9 -10.263 -5.585 -4.183 1.00 0.00 C ATOM 131 CG1 VAL A 9 -10.798 -4.586 -5.216 1.00 0.00 C ATOM 132 CG2 VAL A 9 -8.858 -5.196 -3.732 1.00 0.00 C ATOM 0 H VAL A 9 -10.105 -7.454 -2.516 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.144 -4.827 -2.353 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.214 -6.559 -4.670 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.101 -4.517 -6.051 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.768 -4.924 -5.580 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.906 -3.606 -4.752 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.209 -5.101 -4.603 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.896 -4.244 -3.203 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.463 -5.965 -3.068 1.00 0.00 H new ATOM 142 N GLU A 10 -13.043 -7.147 -3.666 1.00 0.00 N ATOM 143 CA GLU A 10 -14.392 -7.466 -4.094 1.00 0.00 C ATOM 144 C GLU A 10 -15.393 -7.148 -2.988 1.00 0.00 C ATOM 145 O GLU A 10 -16.558 -6.849 -3.255 1.00 0.00 O ATOM 146 CB GLU A 10 -14.472 -8.923 -4.513 1.00 0.00 C ATOM 147 CG GLU A 10 -13.549 -9.244 -5.677 1.00 0.00 C ATOM 148 CD GLU A 10 -13.823 -8.386 -6.896 1.00 0.00 C ATOM 149 OE1 GLU A 10 -13.297 -7.255 -6.971 1.00 0.00 O ATOM 150 OE2 GLU A 10 -14.554 -8.849 -7.795 1.00 0.00 O1- ATOM 0 H GLU A 10 -12.440 -7.960 -3.540 1.00 0.00 H new ATOM 0 HA GLU A 10 -14.648 -6.850 -4.956 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.215 -9.557 -3.664 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -15.499 -9.162 -4.790 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.514 -9.103 -5.364 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.661 -10.295 -5.945 1.00 0.00 H new ATOM 157 N GLN A 11 -14.928 -7.211 -1.746 1.00 0.00 N ATOM 158 CA GLN A 11 -15.720 -6.765 -0.611 1.00 0.00 C ATOM 159 C GLN A 11 -15.555 -5.270 -0.415 1.00 0.00 C ATOM 160 O GLN A 11 -16.507 -4.575 -0.049 1.00 0.00 O ATOM 161 CB GLN A 11 -15.331 -7.488 0.659 1.00 0.00 C ATOM 162 CG GLN A 11 -16.157 -7.025 1.813 1.00 0.00 C ATOM 163 CD GLN A 11 -15.820 -7.722 3.114 1.00 0.00 C ATOM 164 OE1 GLN A 11 -15.344 -8.954 3.029 1.00 0.00 O flip ATOM 165 NE2 GLN A 11 -15.986 -7.154 4.194 1.00 0.00 N flip ATOM 0 H GLN A 11 -14.004 -7.568 -1.501 1.00 0.00 H new ATOM 0 HA GLN A 11 -16.763 -6.995 -0.827 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -15.458 -8.562 0.524 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -14.276 -7.316 0.871 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -16.021 -5.951 1.939 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -17.210 -7.188 1.585 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -16.355 -6.204 4.219 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -15.754 -7.634 5.064 1.00 0.00 H new ATOM 174 N LEU A 12 -14.340 -4.781 -0.640 1.00 0.00 N ATOM 175 CA LEU A 12 -14.094 -3.368 -0.652 1.00 0.00 C ATOM 176 C LEU A 12 -15.045 -2.716 -1.619 1.00 0.00 C ATOM 177 O LEU A 12 -15.254 -3.193 -2.733 1.00 0.00 O ATOM 178 CB LEU A 12 -12.661 -3.070 -1.072 1.00 0.00 C ATOM 179 CG LEU A 12 -11.585 -3.435 -0.066 1.00 0.00 C ATOM 180 CD1 LEU A 12 -10.208 -3.038 -0.575 1.00 0.00 C ATOM 181 CD2 LEU A 12 -11.894 -2.769 1.247 1.00 0.00 C ATOM 0 H LEU A 12 -13.516 -5.356 -0.816 1.00 0.00 H new ATOM 0 HA LEU A 12 -14.246 -2.975 0.353 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -12.457 -3.602 -2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -12.581 -2.005 -1.290 1.00 0.00 H new ATOM 0 HG LEU A 12 -11.575 -4.516 0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.454 -3.310 0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.002 -3.557 -1.511 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.179 -1.961 -0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.125 -3.027 1.975 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.917 -1.688 1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.864 -3.109 1.608 1.00 0.00 H new ATOM 193 N THR A 13 -15.622 -1.633 -1.198 1.00 0.00 N ATOM 194 CA THR A 13 -16.562 -0.954 -2.027 1.00 0.00 C ATOM 195 C THR A 13 -15.777 -0.023 -2.914 1.00 0.00 C ATOM 196 O THR A 13 -14.641 0.296 -2.578 1.00 0.00 O ATOM 197 CB THR A 13 -17.593 -0.188 -1.176 1.00 0.00 C ATOM 198 OG1 THR A 13 -16.998 0.993 -0.630 1.00 0.00 O ATOM 199 CG2 THR A 13 -18.077 -1.062 -0.024 1.00 0.00 C ATOM 0 H THR A 13 -15.458 -1.203 -0.288 1.00 0.00 H new ATOM 0 HA THR A 13 -17.129 -1.662 -2.631 1.00 0.00 H new ATOM 0 HB THR A 13 -18.433 0.080 -1.816 1.00 0.00 H new ATOM 0 HG1 THR A 13 -17.532 1.308 0.129 1.00 0.00 H new ATOM 0 HG21 THR A 13 -18.805 -0.510 0.570 1.00 0.00 H new ATOM 0 HG22 THR A 13 -18.542 -1.964 -0.422 1.00 0.00 H new ATOM 0 HG23 THR A 13 -17.230 -1.338 0.604 1.00 0.00 H new ATOM 207 N GLU A 14 -16.307 0.372 -4.049 1.00 0.00 N ATOM 208 CA GLU A 14 -15.596 1.317 -4.897 1.00 0.00 C ATOM 209 C GLU A 14 -15.216 2.539 -4.066 1.00 0.00 C ATOM 210 O GLU A 14 -14.153 3.112 -4.235 1.00 0.00 O ATOM 211 CB GLU A 14 -16.457 1.733 -6.071 1.00 0.00 C ATOM 212 CG GLU A 14 -16.474 0.708 -7.189 1.00 0.00 C ATOM 213 CD GLU A 14 -16.990 -0.636 -6.736 1.00 0.00 C ATOM 214 OE1 GLU A 14 -16.172 -1.562 -6.558 1.00 0.00 O ATOM 215 OE2 GLU A 14 -18.209 -0.763 -6.519 1.00 0.00 O1- ATOM 0 H GLU A 14 -17.211 0.064 -4.407 1.00 0.00 H new ATOM 0 HA GLU A 14 -14.696 0.843 -5.289 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -17.477 1.901 -5.725 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -16.093 2.683 -6.462 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -17.096 1.076 -8.005 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -15.465 0.591 -7.585 1.00 0.00 H new ATOM 222 N GLU A 15 -16.121 2.918 -3.168 1.00 0.00 N ATOM 223 CA GLU A 15 -15.839 3.930 -2.146 1.00 0.00 C ATOM 224 C GLU A 15 -14.582 3.569 -1.349 1.00 0.00 C ATOM 225 O GLU A 15 -13.643 4.358 -1.281 1.00 0.00 O ATOM 226 CB GLU A 15 -17.017 4.088 -1.174 1.00 0.00 C ATOM 227 CG GLU A 15 -18.342 4.410 -1.842 1.00 0.00 C ATOM 228 CD GLU A 15 -19.035 3.178 -2.388 1.00 0.00 C ATOM 229 OE1 GLU A 15 -19.833 2.565 -1.653 1.00 0.00 O ATOM 230 OE2 GLU A 15 -18.783 2.815 -3.554 1.00 0.00 O1- ATOM 0 H GLU A 15 -17.066 2.537 -3.125 1.00 0.00 H new ATOM 0 HA GLU A 15 -15.680 4.873 -2.669 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -17.127 3.167 -0.602 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -16.781 4.879 -0.462 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -18.997 4.902 -1.123 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -18.173 5.117 -2.654 1.00 0.00 H new ATOM 237 N GLN A 16 -14.583 2.382 -0.731 1.00 0.00 N ATOM 238 CA GLN A 16 -13.424 1.877 -0.005 1.00 0.00 C ATOM 239 C GLN A 16 -12.162 1.902 -0.867 1.00 0.00 C ATOM 240 O GLN A 16 -11.124 2.421 -0.466 1.00 0.00 O ATOM 241 CB GLN A 16 -13.686 0.463 0.474 1.00 0.00 C ATOM 242 CG GLN A 16 -14.779 0.402 1.504 1.00 0.00 C ATOM 243 CD GLN A 16 -14.753 -0.878 2.326 1.00 0.00 C ATOM 244 OE1 GLN A 16 -15.493 -1.892 1.899 1.00 0.00 O flip ATOM 245 NE2 GLN A 16 -14.074 -0.955 3.347 1.00 0.00 N flip ATOM 0 H GLN A 16 -15.385 1.752 -0.723 1.00 0.00 H new ATOM 0 HA GLN A 16 -13.261 2.531 0.851 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -13.957 -0.162 -0.377 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -12.770 0.049 0.895 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -14.688 1.258 2.173 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -15.745 0.487 1.006 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -13.515 -0.157 3.649 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -14.069 -1.817 3.892 1.00 0.00 H new ATOM 254 N LYS A 17 -12.269 1.308 -2.045 1.00 0.00 N ATOM 255 CA LYS A 17 -11.213 1.290 -3.042 1.00 0.00 C ATOM 256 C LYS A 17 -10.755 2.694 -3.425 1.00 0.00 C ATOM 257 O LYS A 17 -9.567 2.933 -3.606 1.00 0.00 O ATOM 258 CB LYS A 17 -11.752 0.541 -4.249 1.00 0.00 C ATOM 259 CG LYS A 17 -12.134 -0.891 -3.899 1.00 0.00 C ATOM 260 CD LYS A 17 -13.135 -1.502 -4.870 1.00 0.00 C ATOM 261 CE LYS A 17 -12.793 -1.179 -6.304 1.00 0.00 C ATOM 262 NZ LYS A 17 -13.662 -1.903 -7.268 1.00 0.00 N1+ ATOM 0 H LYS A 17 -13.111 0.814 -2.340 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.331 0.794 -2.637 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.623 1.064 -4.643 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.001 0.535 -5.039 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.234 -1.506 -3.881 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.554 -0.912 -2.894 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -13.157 -2.584 -4.736 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -14.135 -1.132 -4.642 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.891 -0.105 -6.466 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.751 -1.436 -6.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.717 -1.366 -8.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.262 -2.844 -7.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -14.616 -2.006 -6.866 1.00 0.00 H new ATOM 276 N ASN A 18 -11.697 3.615 -3.537 1.00 0.00 N ATOM 277 CA ASN A 18 -11.386 5.006 -3.845 1.00 0.00 C ATOM 278 C ASN A 18 -10.679 5.643 -2.675 1.00 0.00 C ATOM 279 O ASN A 18 -9.843 6.521 -2.838 1.00 0.00 O ATOM 280 CB ASN A 18 -12.650 5.791 -4.113 1.00 0.00 C ATOM 281 CG ASN A 18 -12.427 7.035 -4.958 1.00 0.00 C ATOM 282 OD1 ASN A 18 -11.344 7.619 -4.970 1.00 0.00 O ATOM 283 ND2 ASN A 18 -13.456 7.447 -5.678 1.00 0.00 N ATOM 0 H ASN A 18 -12.692 3.425 -3.419 1.00 0.00 H new ATOM 0 HA ASN A 18 -10.751 5.019 -4.731 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -13.369 5.145 -4.616 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -13.095 6.083 -3.162 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -13.367 8.274 -6.268 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -14.339 6.938 -5.643 1.00 0.00 H new ATOM 290 N GLU A 19 -11.038 5.205 -1.483 1.00 0.00 N ATOM 291 CA GLU A 19 -10.389 5.685 -0.292 1.00 0.00 C ATOM 292 C GLU A 19 -8.912 5.304 -0.342 1.00 0.00 C ATOM 293 O GLU A 19 -8.037 6.061 0.083 1.00 0.00 O ATOM 294 CB GLU A 19 -11.068 5.122 0.962 1.00 0.00 C ATOM 295 CG GLU A 19 -10.303 5.377 2.250 1.00 0.00 C ATOM 296 CD GLU A 19 -11.152 5.155 3.486 1.00 0.00 C ATOM 297 OE1 GLU A 19 -11.879 6.090 3.895 1.00 0.00 O ATOM 298 OE2 GLU A 19 -11.109 4.047 4.056 1.00 0.00 O1- ATOM 0 H GLU A 19 -11.775 4.519 -1.321 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.473 6.771 -0.243 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -12.063 5.559 1.050 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.202 4.047 0.838 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.434 4.720 2.288 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.929 6.401 2.250 1.00 0.00 H new ATOM 305 N PHE A 20 -8.648 4.130 -0.900 1.00 0.00 N ATOM 306 CA PHE A 20 -7.288 3.677 -1.119 1.00 0.00 C ATOM 307 C PHE A 20 -6.695 4.346 -2.358 1.00 0.00 C ATOM 308 O PHE A 20 -5.496 4.551 -2.442 1.00 0.00 O ATOM 309 CB PHE A 20 -7.247 2.156 -1.253 1.00 0.00 C ATOM 310 CG PHE A 20 -7.746 1.450 -0.024 1.00 0.00 C ATOM 311 CD1 PHE A 20 -8.702 0.454 -0.113 1.00 0.00 C ATOM 312 CD2 PHE A 20 -7.260 1.790 1.229 1.00 0.00 C ATOM 313 CE1 PHE A 20 -9.162 -0.186 1.013 1.00 0.00 C ATOM 314 CE2 PHE A 20 -7.716 1.151 2.360 1.00 0.00 C ATOM 315 CZ PHE A 20 -8.668 0.159 2.255 1.00 0.00 C ATOM 0 H PHE A 20 -9.365 3.474 -1.209 1.00 0.00 H new ATOM 0 HA PHE A 20 -6.685 3.960 -0.256 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -7.850 1.855 -2.110 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.224 1.841 -1.457 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -9.092 0.175 -1.081 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.514 2.566 1.319 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -9.911 -0.960 0.926 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -7.328 1.427 3.329 1.00 0.00 H new ATOM 0 HZ PHE A 20 -9.025 -0.346 3.140 1.00 0.00 H new ATOM 325 N LYS A 21 -7.545 4.682 -3.314 1.00 0.00 N ATOM 326 CA LYS A 21 -7.130 5.465 -4.475 1.00 0.00 C ATOM 327 C LYS A 21 -6.590 6.790 -4.014 1.00 0.00 C ATOM 328 O LYS A 21 -5.524 7.237 -4.413 1.00 0.00 O ATOM 329 CB LYS A 21 -8.315 5.754 -5.362 1.00 0.00 C ATOM 330 CG LYS A 21 -7.944 6.351 -6.712 1.00 0.00 C ATOM 331 CD LYS A 21 -7.045 5.442 -7.537 1.00 0.00 C ATOM 332 CE LYS A 21 -7.162 5.775 -9.019 1.00 0.00 C ATOM 333 NZ LYS A 21 -6.371 4.856 -9.883 1.00 0.00 N1+ ATOM 0 H LYS A 21 -8.532 4.425 -3.312 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.377 4.896 -5.019 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.869 4.829 -5.525 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.985 6.440 -4.844 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.855 6.559 -7.274 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.441 7.305 -6.555 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.010 5.554 -7.214 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.320 4.401 -7.370 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.210 5.731 -9.315 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.827 6.799 -9.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.777 4.845 -10.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.385 5.185 -9.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.398 3.896 -9.484 1.00 0.00 H new ATOM 347 N ALA A 22 -7.404 7.418 -3.208 1.00 0.00 N ATOM 348 CA ALA A 22 -7.050 8.652 -2.531 1.00 0.00 C ATOM 349 C ALA A 22 -5.716 8.511 -1.800 1.00 0.00 C ATOM 350 O ALA A 22 -4.916 9.441 -1.766 1.00 0.00 O ATOM 351 CB ALA A 22 -8.154 9.048 -1.564 1.00 0.00 C ATOM 0 H ALA A 22 -8.346 7.088 -2.996 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.938 9.438 -3.278 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.881 9.975 -1.060 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.084 9.194 -2.114 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.290 8.259 -0.824 1.00 0.00 H new ATOM 357 N ALA A 23 -5.478 7.342 -1.220 1.00 0.00 N ATOM 358 CA ALA A 23 -4.217 7.075 -0.552 1.00 0.00 C ATOM 359 C ALA A 23 -3.107 6.877 -1.578 1.00 0.00 C ATOM 360 O ALA A 23 -2.001 7.386 -1.403 1.00 0.00 O ATOM 361 CB ALA A 23 -4.350 5.870 0.361 1.00 0.00 C ATOM 0 H ALA A 23 -6.141 6.567 -1.200 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.952 7.934 0.065 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.397 5.681 0.855 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.116 6.065 1.112 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.633 4.997 -0.227 1.00 0.00 H new ATOM 367 N PHE A 24 -3.421 6.147 -2.647 1.00 0.00 N ATOM 368 CA PHE A 24 -2.531 6.017 -3.801 1.00 0.00 C ATOM 369 C PHE A 24 -2.063 7.398 -4.222 1.00 0.00 C ATOM 370 O PHE A 24 -0.875 7.659 -4.364 1.00 0.00 O ATOM 371 CB PHE A 24 -3.277 5.381 -4.986 1.00 0.00 C ATOM 372 CG PHE A 24 -2.393 5.074 -6.165 1.00 0.00 C ATOM 373 CD1 PHE A 24 -2.749 5.503 -7.431 1.00 0.00 C ATOM 374 CD2 PHE A 24 -1.202 4.374 -6.010 1.00 0.00 C ATOM 375 CE1 PHE A 24 -1.941 5.240 -8.518 1.00 0.00 C ATOM 376 CE2 PHE A 24 -0.395 4.111 -7.092 1.00 0.00 C ATOM 377 CZ PHE A 24 -0.764 4.543 -8.349 1.00 0.00 C ATOM 0 H PHE A 24 -4.296 5.631 -2.738 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.686 5.387 -3.522 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.754 4.460 -4.651 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.073 6.054 -5.306 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.670 6.050 -7.570 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.907 4.033 -5.029 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.231 5.580 -9.501 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.528 3.566 -6.958 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.132 4.335 -9.199 1.00 0.00 H new ATOM 387 N ASP A 25 -3.048 8.262 -4.391 1.00 0.00 N ATOM 388 CA ASP A 25 -2.865 9.647 -4.807 1.00 0.00 C ATOM 389 C ASP A 25 -1.797 10.359 -3.985 1.00 0.00 C ATOM 390 O ASP A 25 -0.842 10.911 -4.532 1.00 0.00 O ATOM 391 CB ASP A 25 -4.189 10.383 -4.630 1.00 0.00 C ATOM 392 CG ASP A 25 -4.233 11.724 -5.328 1.00 0.00 C ATOM 393 OD1 ASP A 25 -4.279 11.754 -6.573 1.00 0.00 O ATOM 394 OD2 ASP A 25 -4.256 12.756 -4.632 1.00 0.00 O1- ATOM 0 H ASP A 25 -4.026 8.016 -4.239 1.00 0.00 H new ATOM 0 HA ASP A 25 -2.541 9.647 -5.848 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.997 9.758 -5.011 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.374 10.530 -3.566 1.00 0.00 H new ATOM 399 N ILE A 26 -1.973 10.338 -2.673 1.00 0.00 N ATOM 400 CA ILE A 26 -1.097 11.059 -1.758 1.00 0.00 C ATOM 401 C ILE A 26 0.242 10.349 -1.625 1.00 0.00 C ATOM 402 O ILE A 26 1.282 10.984 -1.430 1.00 0.00 O ATOM 403 CB ILE A 26 -1.760 11.195 -0.379 1.00 0.00 C ATOM 404 CG1 ILE A 26 -3.196 11.674 -0.560 1.00 0.00 C ATOM 405 CG2 ILE A 26 -0.979 12.162 0.502 1.00 0.00 C ATOM 406 CD1 ILE A 26 -4.016 11.647 0.710 1.00 0.00 C ATOM 0 H ILE A 26 -2.723 9.823 -2.212 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.923 12.055 -2.166 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.763 10.224 0.116 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.183 12.692 -0.951 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.685 11.051 -1.309 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.466 12.243 1.474 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.038 11.792 0.636 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.949 13.143 0.028 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.025 12.002 0.499 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -4.062 10.627 1.092 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.553 12.293 1.456 1.00 0.00 H new ATOM 418 N PHE A 27 0.202 9.028 -1.755 1.00 0.00 N ATOM 419 CA PHE A 27 1.401 8.200 -1.728 1.00 0.00 C ATOM 420 C PHE A 27 2.386 8.663 -2.791 1.00 0.00 C ATOM 421 O PHE A 27 3.599 8.569 -2.622 1.00 0.00 O ATOM 422 CB PHE A 27 1.032 6.746 -2.007 1.00 0.00 C ATOM 423 CG PHE A 27 1.566 5.760 -1.017 1.00 0.00 C ATOM 424 CD1 PHE A 27 2.919 5.492 -0.933 1.00 0.00 C ATOM 425 CD2 PHE A 27 0.703 5.077 -0.190 1.00 0.00 C ATOM 426 CE1 PHE A 27 3.395 4.558 -0.035 1.00 0.00 C ATOM 427 CE2 PHE A 27 1.173 4.146 0.711 1.00 0.00 C ATOM 428 CZ PHE A 27 2.519 3.885 0.788 1.00 0.00 C ATOM 0 H PHE A 27 -0.662 8.501 -1.882 1.00 0.00 H new ATOM 0 HA PHE A 27 1.858 8.288 -0.742 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.054 6.661 -2.033 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.397 6.477 -2.998 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.610 6.018 -1.575 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.357 5.274 -0.248 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.454 4.355 0.022 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.483 3.622 1.356 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.890 3.154 1.492 1.00 0.00 H new ATOM 438 N VAL A 28 1.837 9.170 -3.888 1.00 0.00 N ATOM 439 CA VAL A 28 2.625 9.504 -5.055 1.00 0.00 C ATOM 440 C VAL A 28 2.500 10.975 -5.445 1.00 0.00 C ATOM 441 O VAL A 28 2.724 11.336 -6.602 1.00 0.00 O ATOM 442 CB VAL A 28 2.199 8.635 -6.250 1.00 0.00 C ATOM 443 CG1 VAL A 28 2.524 7.175 -5.977 1.00 0.00 C ATOM 444 CG2 VAL A 28 0.710 8.809 -6.535 1.00 0.00 C ATOM 0 H VAL A 28 0.839 9.358 -3.988 1.00 0.00 H new ATOM 0 HA VAL A 28 3.666 9.311 -4.794 1.00 0.00 H new ATOM 0 HB VAL A 28 2.754 8.957 -7.131 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.218 6.569 -6.830 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.597 7.064 -5.819 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.990 6.844 -5.086 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.427 8.186 -7.384 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.135 8.511 -5.659 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.504 9.854 -6.767 1.00 0.00 H new ATOM 454 N LEU A 29 2.140 11.831 -4.504 1.00 0.00 N ATOM 455 CA LEU A 29 2.106 13.254 -4.796 1.00 0.00 C ATOM 456 C LEU A 29 3.529 13.753 -4.967 1.00 0.00 C ATOM 457 O LEU A 29 4.349 13.662 -4.050 1.00 0.00 O ATOM 458 CB LEU A 29 1.374 14.032 -3.699 1.00 0.00 C ATOM 459 CG LEU A 29 -0.136 13.815 -3.656 1.00 0.00 C ATOM 460 CD1 LEU A 29 -0.726 14.446 -2.405 1.00 0.00 C ATOM 461 CD2 LEU A 29 -0.804 14.382 -4.900 1.00 0.00 C ATOM 0 H LEU A 29 1.873 11.575 -3.553 1.00 0.00 H new ATOM 0 HA LEU A 29 1.551 13.418 -5.720 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.794 13.752 -2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.570 15.096 -3.836 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.323 12.742 -3.630 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.804 14.283 -2.389 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.277 13.992 -1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.521 15.517 -2.406 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.880 14.214 -4.844 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.607 15.452 -4.963 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.405 13.887 -5.785 1.00 0.00 H new ATOM 473 N GLY A 30 3.825 14.246 -6.157 1.00 0.00 N ATOM 474 CA GLY A 30 5.178 14.632 -6.479 1.00 0.00 C ATOM 475 C GLY A 30 5.951 13.502 -7.119 1.00 0.00 C ATOM 476 O GLY A 30 7.169 13.577 -7.250 1.00 0.00 O ATOM 0 H GLY A 30 3.149 14.386 -6.908 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.160 15.487 -7.154 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.689 14.953 -5.571 1.00 0.00 H new ATOM 480 N ALA A 31 5.246 12.455 -7.518 1.00 0.00 N ATOM 481 CA ALA A 31 5.892 11.312 -8.138 1.00 0.00 C ATOM 482 C ALA A 31 6.056 11.524 -9.633 1.00 0.00 C ATOM 483 O ALA A 31 5.317 12.291 -10.251 1.00 0.00 O ATOM 484 CB ALA A 31 5.107 10.034 -7.870 1.00 0.00 C ATOM 0 H ALA A 31 4.234 12.374 -7.424 1.00 0.00 H new ATOM 0 HA ALA A 31 6.883 11.210 -7.695 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.610 9.192 -8.344 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.047 9.862 -6.795 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.101 10.132 -8.278 1.00 0.00 H new ATOM 490 N GLU A 32 7.036 10.839 -10.200 1.00 0.00 N ATOM 491 CA GLU A 32 7.338 10.950 -11.616 1.00 0.00 C ATOM 492 C GLU A 32 6.373 10.117 -12.451 1.00 0.00 C ATOM 493 O GLU A 32 5.862 10.576 -13.471 1.00 0.00 O ATOM 494 CB GLU A 32 8.767 10.490 -11.889 1.00 0.00 C ATOM 495 CG GLU A 32 9.831 11.350 -11.228 1.00 0.00 C ATOM 496 CD GLU A 32 11.225 10.814 -11.460 1.00 0.00 C ATOM 497 OE1 GLU A 32 11.744 10.964 -12.584 1.00 0.00 O ATOM 498 OE2 GLU A 32 11.816 10.239 -10.520 1.00 0.00 O1- ATOM 0 H GLU A 32 7.642 10.193 -9.693 1.00 0.00 H new ATOM 0 HA GLU A 32 7.230 11.998 -11.897 1.00 0.00 H new ATOM 0 HB2 GLU A 32 8.879 9.462 -11.543 1.00 0.00 H new ATOM 0 HB3 GLU A 32 8.936 10.484 -12.966 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.766 12.367 -11.615 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.638 11.404 -10.157 1.00 0.00 H new ATOM 505 N ASP A 33 6.133 8.885 -12.017 1.00 0.00 N ATOM 506 CA ASP A 33 5.312 7.955 -12.780 1.00 0.00 C ATOM 507 C ASP A 33 3.899 7.877 -12.241 1.00 0.00 C ATOM 508 O ASP A 33 2.998 7.365 -12.904 1.00 0.00 O ATOM 509 CB ASP A 33 5.925 6.563 -12.783 1.00 0.00 C ATOM 510 CG ASP A 33 7.176 6.484 -13.626 1.00 0.00 C ATOM 511 OD1 ASP A 33 8.279 6.378 -13.056 1.00 0.00 O ATOM 512 OD2 ASP A 33 7.061 6.537 -14.868 1.00 0.00 O1- ATOM 0 H ASP A 33 6.495 8.508 -11.141 1.00 0.00 H new ATOM 0 HA ASP A 33 5.273 8.336 -13.800 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.161 6.271 -11.760 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.193 5.848 -13.157 1.00 0.00 H new ATOM 517 N GLY A 34 3.708 8.374 -11.034 1.00 0.00 N ATOM 518 CA GLY A 34 2.396 8.336 -10.432 1.00 0.00 C ATOM 519 C GLY A 34 2.129 7.032 -9.721 1.00 0.00 C ATOM 520 O GLY A 34 1.031 6.803 -9.226 1.00 0.00 O ATOM 0 H GLY A 34 4.435 8.802 -10.461 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.300 9.159 -9.724 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.641 8.488 -11.203 1.00 0.00 H new ATOM 524 N SER A 35 3.137 6.181 -9.673 1.00 0.00 N ATOM 525 CA SER A 35 3.047 4.930 -8.940 1.00 0.00 C ATOM 526 C SER A 35 4.156 4.896 -7.903 1.00 0.00 C ATOM 527 O SER A 35 5.217 5.490 -8.100 1.00 0.00 O ATOM 528 CB SER A 35 3.140 3.723 -9.882 1.00 0.00 C ATOM 529 OG SER A 35 2.582 4.021 -11.154 1.00 0.00 O ATOM 0 H SER A 35 4.033 6.334 -10.136 1.00 0.00 H new ATOM 0 HA SER A 35 2.078 4.871 -8.445 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.183 3.429 -9.999 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.617 2.874 -9.442 1.00 0.00 H new ATOM 0 HG SER A 35 1.627 3.803 -11.151 1.00 0.00 H new ATOM 535 N ILE A 36 3.889 4.212 -6.805 1.00 0.00 N ATOM 536 CA ILE A 36 4.735 4.267 -5.625 1.00 0.00 C ATOM 537 C ILE A 36 6.121 3.728 -5.896 1.00 0.00 C ATOM 538 O ILE A 36 6.310 2.525 -6.026 1.00 0.00 O ATOM 539 CB ILE A 36 4.100 3.455 -4.476 1.00 0.00 C ATOM 540 CG1 ILE A 36 2.679 3.960 -4.212 1.00 0.00 C ATOM 541 CG2 ILE A 36 4.945 3.532 -3.205 1.00 0.00 C ATOM 542 CD1 ILE A 36 1.944 3.194 -3.138 1.00 0.00 C ATOM 0 H ILE A 36 3.078 3.601 -6.706 1.00 0.00 H new ATOM 0 HA ILE A 36 4.822 5.316 -5.343 1.00 0.00 H new ATOM 0 HB ILE A 36 4.058 2.408 -4.776 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.725 5.011 -3.927 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.107 3.906 -5.138 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.469 2.949 -2.416 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.939 3.130 -3.404 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.031 4.571 -2.887 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.946 3.613 -3.011 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.864 2.146 -3.428 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.491 3.269 -2.198 1.00 0.00 H new ATOM 554 N SER A 37 7.087 4.627 -5.960 1.00 0.00 N ATOM 555 CA SER A 37 8.472 4.235 -6.049 1.00 0.00 C ATOM 556 C SER A 37 8.988 3.997 -4.645 1.00 0.00 C ATOM 557 O SER A 37 8.246 4.157 -3.680 1.00 0.00 O ATOM 558 CB SER A 37 9.299 5.311 -6.755 1.00 0.00 C ATOM 559 OG SER A 37 9.375 6.491 -5.977 1.00 0.00 O ATOM 0 H SER A 37 6.932 5.635 -5.952 1.00 0.00 H new ATOM 0 HA SER A 37 8.560 3.322 -6.637 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.303 4.934 -6.947 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.853 5.539 -7.723 1.00 0.00 H new ATOM 0 HG SER A 37 9.039 7.249 -6.499 1.00 0.00 H new ATOM 565 N THR A 38 10.227 3.604 -4.506 1.00 0.00 N ATOM 566 CA THR A 38 10.772 3.397 -3.188 1.00 0.00 C ATOM 567 C THR A 38 10.987 4.731 -2.487 1.00 0.00 C ATOM 568 O THR A 38 10.788 4.842 -1.281 1.00 0.00 O ATOM 569 CB THR A 38 12.069 2.588 -3.252 1.00 0.00 C ATOM 570 OG1 THR A 38 12.932 3.106 -4.269 1.00 0.00 O ATOM 571 CG2 THR A 38 11.745 1.142 -3.550 1.00 0.00 C ATOM 0 H THR A 38 10.871 3.423 -5.276 1.00 0.00 H new ATOM 0 HA THR A 38 10.054 2.820 -2.605 1.00 0.00 H new ATOM 0 HB THR A 38 12.578 2.661 -2.291 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.758 2.579 -4.297 1.00 0.00 H new ATOM 0 HG21 THR A 38 12.668 0.564 -3.596 1.00 0.00 H new ATOM 0 HG22 THR A 38 11.106 0.743 -2.763 1.00 0.00 H new ATOM 0 HG23 THR A 38 11.227 1.075 -4.507 1.00 0.00 H new ATOM 579 N LYS A 39 11.356 5.748 -3.256 1.00 0.00 N ATOM 580 CA LYS A 39 11.420 7.106 -2.737 1.00 0.00 C ATOM 581 C LYS A 39 10.053 7.491 -2.181 1.00 0.00 C ATOM 582 O LYS A 39 9.919 7.861 -1.020 1.00 0.00 O ATOM 583 CB LYS A 39 11.820 8.078 -3.844 1.00 0.00 C ATOM 584 CG LYS A 39 11.998 9.499 -3.351 1.00 0.00 C ATOM 585 CD LYS A 39 12.394 10.445 -4.470 1.00 0.00 C ATOM 586 CE LYS A 39 12.397 11.889 -3.991 1.00 0.00 C ATOM 587 NZ LYS A 39 13.263 12.074 -2.798 1.00 0.00 N1+ ATOM 0 H LYS A 39 11.615 5.657 -4.239 1.00 0.00 H new ATOM 0 HA LYS A 39 12.168 7.155 -1.946 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.750 7.738 -4.299 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.059 8.063 -4.625 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.069 9.844 -2.897 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.760 9.520 -2.572 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.384 10.180 -4.841 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.701 10.337 -5.304 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.743 12.538 -4.795 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.378 12.194 -3.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.374 13.090 -2.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.826 11.610 -1.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 14.196 11.652 -2.978 1.00 0.00 H new ATOM 601 N GLU A 40 9.057 7.381 -3.044 1.00 0.00 N ATOM 602 CA GLU A 40 7.662 7.535 -2.691 1.00 0.00 C ATOM 603 C GLU A 40 7.251 6.719 -1.468 1.00 0.00 C ATOM 604 O GLU A 40 6.598 7.231 -0.561 1.00 0.00 O ATOM 605 CB GLU A 40 6.846 7.101 -3.895 1.00 0.00 C ATOM 606 CG GLU A 40 6.396 8.275 -4.729 1.00 0.00 C ATOM 607 CD GLU A 40 7.512 8.891 -5.544 1.00 0.00 C ATOM 608 OE1 GLU A 40 7.801 8.382 -6.649 1.00 0.00 O ATOM 609 OE2 GLU A 40 8.092 9.899 -5.090 1.00 0.00 O1- ATOM 0 H GLU A 40 9.203 7.177 -4.033 1.00 0.00 H new ATOM 0 HA GLU A 40 7.485 8.577 -2.426 1.00 0.00 H new ATOM 0 HB2 GLU A 40 7.440 6.426 -4.511 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.974 6.541 -3.558 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.601 7.952 -5.400 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.971 9.036 -4.074 1.00 0.00 H new ATOM 616 N LEU A 41 7.614 5.454 -1.453 1.00 0.00 N ATOM 617 CA LEU A 41 7.248 4.585 -0.353 1.00 0.00 C ATOM 618 C LEU A 41 7.907 5.050 0.936 1.00 0.00 C ATOM 619 O LEU A 41 7.239 5.227 1.951 1.00 0.00 O ATOM 620 CB LEU A 41 7.626 3.145 -0.671 1.00 0.00 C ATOM 621 CG LEU A 41 7.296 2.119 0.410 1.00 0.00 C ATOM 622 CD1 LEU A 41 5.862 2.266 0.833 1.00 0.00 C ATOM 623 CD2 LEU A 41 7.566 0.707 -0.086 1.00 0.00 C ATOM 0 H LEU A 41 8.161 5.005 -2.188 1.00 0.00 H new ATOM 0 HA LEU A 41 6.168 4.632 -0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.121 2.851 -1.591 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.697 3.105 -0.869 1.00 0.00 H new ATOM 0 HG LEU A 41 7.938 2.300 1.272 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.633 1.531 1.605 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.700 3.269 1.228 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.211 2.105 -0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.324 -0.008 0.701 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.950 0.505 -0.962 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.618 0.610 -0.353 1.00 0.00 H new ATOM 635 N GLY A 42 9.210 5.249 0.877 1.00 0.00 N ATOM 636 CA GLY A 42 9.950 5.803 2.008 1.00 0.00 C ATOM 637 C GLY A 42 9.383 7.130 2.469 1.00 0.00 C ATOM 638 O GLY A 42 9.308 7.388 3.663 1.00 0.00 O ATOM 0 H GLY A 42 9.783 5.037 0.060 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.929 5.094 2.836 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.995 5.934 1.727 1.00 0.00 H new ATOM 642 N LYS A 43 8.994 7.960 1.508 1.00 0.00 N ATOM 643 CA LYS A 43 8.286 9.216 1.762 1.00 0.00 C ATOM 644 C LYS A 43 7.121 8.997 2.724 1.00 0.00 C ATOM 645 O LYS A 43 6.985 9.687 3.734 1.00 0.00 O ATOM 646 CB LYS A 43 7.789 9.759 0.420 1.00 0.00 C ATOM 647 CG LYS A 43 6.655 10.766 0.504 1.00 0.00 C ATOM 648 CD LYS A 43 5.753 10.648 -0.718 1.00 0.00 C ATOM 649 CE LYS A 43 4.535 11.551 -0.624 1.00 0.00 C ATOM 650 NZ LYS A 43 4.891 12.992 -0.696 1.00 0.00 N1+ ATOM 0 H LYS A 43 9.162 7.781 0.518 1.00 0.00 H new ATOM 0 HA LYS A 43 8.958 9.935 2.229 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.628 10.224 -0.097 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.462 8.920 -0.194 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.075 10.596 1.411 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.060 11.776 0.570 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.322 10.901 -1.613 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.428 9.613 -0.829 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.844 11.310 -1.432 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.012 11.355 0.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.026 13.566 -0.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.516 13.235 0.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.381 13.184 -1.593 1.00 0.00 H new ATOM 664 N VAL A 44 6.310 8.014 2.408 1.00 0.00 N ATOM 665 CA VAL A 44 5.168 7.651 3.217 1.00 0.00 C ATOM 666 C VAL A 44 5.582 6.976 4.513 1.00 0.00 C ATOM 667 O VAL A 44 5.056 7.289 5.566 1.00 0.00 O ATOM 668 CB VAL A 44 4.270 6.721 2.411 1.00 0.00 C ATOM 669 CG1 VAL A 44 3.452 5.822 3.314 1.00 0.00 C ATOM 670 CG2 VAL A 44 3.382 7.539 1.496 1.00 0.00 C ATOM 0 H VAL A 44 6.425 7.438 1.574 1.00 0.00 H new ATOM 0 HA VAL A 44 4.632 8.562 3.484 1.00 0.00 H new ATOM 0 HB VAL A 44 4.897 6.070 1.802 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.823 5.172 2.707 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.120 5.214 3.924 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.824 6.432 3.963 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.740 6.872 0.920 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.765 8.211 2.093 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.001 8.124 0.816 1.00 0.00 H new ATOM 680 N MET A 45 6.504 6.039 4.425 1.00 0.00 N ATOM 681 CA MET A 45 7.024 5.372 5.611 1.00 0.00 C ATOM 682 C MET A 45 7.537 6.408 6.609 1.00 0.00 C ATOM 683 O MET A 45 7.371 6.256 7.812 1.00 0.00 O ATOM 684 CB MET A 45 8.136 4.416 5.207 1.00 0.00 C ATOM 685 CG MET A 45 7.687 3.339 4.236 1.00 0.00 C ATOM 686 SD MET A 45 7.440 1.722 4.994 1.00 0.00 S ATOM 687 CE MET A 45 6.014 2.028 6.019 1.00 0.00 C ATOM 0 H MET A 45 6.911 5.719 3.546 1.00 0.00 H new ATOM 0 HA MET A 45 6.227 4.802 6.089 1.00 0.00 H new ATOM 0 HB2 MET A 45 8.948 4.986 4.755 1.00 0.00 H new ATOM 0 HB3 MET A 45 8.539 3.942 6.102 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.756 3.654 3.766 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.429 3.247 3.443 1.00 0.00 H new ATOM 0 HE1 MET A 45 5.434 1.111 6.119 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.339 2.360 7.005 1.00 0.00 H new ATOM 0 HE3 MET A 45 5.396 2.800 5.561 1.00 0.00 H new ATOM 697 N ARG A 46 8.150 7.463 6.084 1.00 0.00 N ATOM 698 CA ARG A 46 8.539 8.623 6.874 1.00 0.00 C ATOM 699 C ARG A 46 7.323 9.299 7.504 1.00 0.00 C ATOM 700 O ARG A 46 7.315 9.593 8.698 1.00 0.00 O ATOM 701 CB ARG A 46 9.289 9.596 5.987 1.00 0.00 C ATOM 702 CG ARG A 46 10.702 9.152 5.647 1.00 0.00 C ATOM 703 CD ARG A 46 11.280 10.025 4.549 1.00 0.00 C ATOM 704 NE ARG A 46 12.594 9.575 4.099 1.00 0.00 N ATOM 705 CZ ARG A 46 13.325 10.212 3.182 1.00 0.00 C ATOM 706 NH1 ARG A 46 12.910 11.366 2.672 1.00 0.00 N1+ ATOM 707 NH2 ARG A 46 14.477 9.699 2.779 1.00 0.00 N ATOM 0 H ARG A 46 8.391 7.537 5.096 1.00 0.00 H new ATOM 0 HA ARG A 46 9.186 8.295 7.688 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.729 9.735 5.062 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.332 10.566 6.483 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.332 9.209 6.535 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.696 8.110 5.327 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.595 10.035 3.701 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.356 11.051 4.910 1.00 0.00 H new ATOM 0 HE ARG A 46 12.976 8.723 4.510 1.00 0.00 H new ATOM 0 HH11 ARG A 46 12.027 11.772 2.981 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.475 11.846 1.972 1.00 0.00 H new ATOM 0 HH21 ARG A 46 14.807 8.816 3.169 1.00 0.00 H new ATOM 0 HH22 ARG A 46 15.035 10.187 2.078 1.00 0.00 H new ATOM 721 N MET A 47 6.299 9.542 6.685 1.00 0.00 N ATOM 722 CA MET A 47 4.988 10.013 7.167 1.00 0.00 C ATOM 723 C MET A 47 4.477 9.117 8.282 1.00 0.00 C ATOM 724 O MET A 47 3.748 9.542 9.173 1.00 0.00 O ATOM 725 CB MET A 47 3.970 9.994 6.020 1.00 0.00 C ATOM 726 CG MET A 47 4.377 10.844 4.858 1.00 0.00 C ATOM 727 SD MET A 47 3.364 10.602 3.389 1.00 0.00 S ATOM 728 CE MET A 47 1.768 11.144 3.978 1.00 0.00 C ATOM 0 H MET A 47 6.348 9.421 5.673 1.00 0.00 H new ATOM 0 HA MET A 47 5.110 11.029 7.543 1.00 0.00 H new ATOM 0 HB2 MET A 47 3.833 8.967 5.681 1.00 0.00 H new ATOM 0 HB3 MET A 47 3.005 10.337 6.393 1.00 0.00 H new ATOM 0 HG2 MET A 47 4.329 11.892 5.152 1.00 0.00 H new ATOM 0 HG3 MET A 47 5.417 10.630 4.610 1.00 0.00 H new ATOM 0 HE1 MET A 47 1.259 11.700 3.191 1.00 0.00 H new ATOM 0 HE2 MET A 47 1.169 10.277 4.255 1.00 0.00 H new ATOM 0 HE3 MET A 47 1.900 11.786 4.849 1.00 0.00 H new ATOM 738 N LEU A 48 4.892 7.876 8.202 1.00 0.00 N ATOM 739 CA LEU A 48 4.430 6.825 9.050 1.00 0.00 C ATOM 740 C LEU A 48 5.345 6.604 10.256 1.00 0.00 C ATOM 741 O LEU A 48 5.192 5.635 10.997 1.00 0.00 O ATOM 742 CB LEU A 48 4.358 5.603 8.175 1.00 0.00 C ATOM 743 CG LEU A 48 3.055 5.457 7.385 1.00 0.00 C ATOM 744 CD1 LEU A 48 3.125 4.254 6.462 1.00 0.00 C ATOM 745 CD2 LEU A 48 1.856 5.338 8.321 1.00 0.00 C ATOM 0 H LEU A 48 5.584 7.569 7.519 1.00 0.00 H new ATOM 0 HA LEU A 48 3.459 7.070 9.480 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.192 5.626 7.473 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.490 4.718 8.798 1.00 0.00 H new ATOM 0 HG LEU A 48 2.926 6.355 6.781 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.190 4.165 5.908 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.951 4.380 5.762 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.284 3.351 7.052 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.944 5.236 7.733 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.977 4.462 8.958 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.789 6.231 8.942 1.00 0.00 H new ATOM 757 N GLY A 49 6.305 7.500 10.421 1.00 0.00 N ATOM 758 CA GLY A 49 7.170 7.481 11.583 1.00 0.00 C ATOM 759 C GLY A 49 8.434 6.669 11.374 1.00 0.00 C ATOM 760 O GLY A 49 9.347 6.697 12.198 1.00 0.00 O ATOM 0 H GLY A 49 6.503 8.251 9.760 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.442 8.504 11.842 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.620 7.073 12.431 1.00 0.00 H new ATOM 764 N GLN A 50 8.487 5.947 10.272 1.00 0.00 N ATOM 765 CA GLN A 50 9.630 5.127 9.942 1.00 0.00 C ATOM 766 C GLN A 50 10.482 5.820 8.894 1.00 0.00 C ATOM 767 O GLN A 50 10.180 6.937 8.484 1.00 0.00 O ATOM 768 CB GLN A 50 9.149 3.792 9.386 1.00 0.00 C ATOM 769 CG GLN A 50 8.145 3.081 10.274 1.00 0.00 C ATOM 770 CD GLN A 50 7.748 1.720 9.734 1.00 0.00 C ATOM 771 OE1 GLN A 50 7.788 1.479 8.531 1.00 0.00 O ATOM 772 NE2 GLN A 50 7.355 0.825 10.623 1.00 0.00 N ATOM 0 H GLN A 50 7.737 5.914 9.581 1.00 0.00 H new ATOM 0 HA GLN A 50 10.224 4.966 10.842 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.699 3.958 8.407 1.00 0.00 H new ATOM 0 HB3 GLN A 50 10.010 3.141 9.235 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.568 2.962 11.272 1.00 0.00 H new ATOM 0 HG3 GLN A 50 7.254 3.701 10.377 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.336 1.065 11.614 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.071 -0.106 10.318 1.00 0.00 H new ATOM 781 N ASN A 51 11.564 5.177 8.490 1.00 0.00 N ATOM 782 CA ASN A 51 12.305 5.594 7.309 1.00 0.00 C ATOM 783 C ASN A 51 13.173 4.445 6.820 1.00 0.00 C ATOM 784 O ASN A 51 14.396 4.458 6.965 1.00 0.00 O ATOM 785 CB ASN A 51 13.147 6.832 7.591 1.00 0.00 C ATOM 786 CG ASN A 51 13.899 7.325 6.368 1.00 0.00 C ATOM 787 OD1 ASN A 51 13.401 7.256 5.245 1.00 0.00 O ATOM 788 ND2 ASN A 51 15.112 7.814 6.574 1.00 0.00 N ATOM 0 H ASN A 51 11.951 4.361 8.964 1.00 0.00 H new ATOM 0 HA ASN A 51 11.594 5.860 6.527 1.00 0.00 H new ATOM 0 HB2 ASN A 51 12.501 7.629 7.960 1.00 0.00 H new ATOM 0 HB3 ASN A 51 13.860 6.607 8.384 1.00 0.00 H new ATOM 0 HD21 ASN A 51 15.667 8.150 5.787 1.00 0.00 H new ATOM 0 HD22 ASN A 51 15.491 7.855 7.520 1.00 0.00 H new ATOM 795 N PRO A 52 12.529 3.405 6.287 1.00 0.00 N ATOM 796 CA PRO A 52 13.222 2.263 5.710 1.00 0.00 C ATOM 797 C PRO A 52 14.018 2.658 4.471 1.00 0.00 C ATOM 798 O PRO A 52 13.894 3.774 3.962 1.00 0.00 O ATOM 799 CB PRO A 52 12.111 1.278 5.338 1.00 0.00 C ATOM 800 CG PRO A 52 10.824 2.021 5.449 1.00 0.00 C ATOM 801 CD PRO A 52 11.074 3.286 6.215 1.00 0.00 C ATOM 0 HA PRO A 52 13.943 1.839 6.409 1.00 0.00 H new ATOM 0 HB2 PRO A 52 12.253 0.899 4.326 1.00 0.00 H new ATOM 0 HB3 PRO A 52 12.119 0.416 6.005 1.00 0.00 H new ATOM 0 HG2 PRO A 52 10.431 2.249 4.458 1.00 0.00 H new ATOM 0 HG3 PRO A 52 10.076 1.411 5.957 1.00 0.00 H new ATOM 0 HD2 PRO A 52 10.632 4.146 5.711 1.00 0.00 H new ATOM 0 HD3 PRO A 52 10.632 3.238 7.210 1.00 0.00 H new ATOM 809 N THR A 53 14.826 1.741 3.983 1.00 0.00 N ATOM 810 CA THR A 53 15.675 2.012 2.833 1.00 0.00 C ATOM 811 C THR A 53 15.008 1.521 1.571 1.00 0.00 C ATOM 812 O THR A 53 14.141 0.666 1.642 1.00 0.00 O ATOM 813 CB THR A 53 17.054 1.340 2.982 1.00 0.00 C ATOM 814 OG1 THR A 53 16.908 0.024 3.525 1.00 0.00 O ATOM 815 CG2 THR A 53 17.977 2.166 3.866 1.00 0.00 C ATOM 0 H THR A 53 14.916 0.799 4.363 1.00 0.00 H new ATOM 0 HA THR A 53 15.824 3.090 2.775 1.00 0.00 H new ATOM 0 HB THR A 53 17.502 1.272 1.991 1.00 0.00 H new ATOM 0 HG1 THR A 53 17.790 -0.393 3.613 1.00 0.00 H new ATOM 0 HG21 THR A 53 18.942 1.666 3.952 1.00 0.00 H new ATOM 0 HG22 THR A 53 18.117 3.152 3.424 1.00 0.00 H new ATOM 0 HG23 THR A 53 17.534 2.272 4.856 1.00 0.00 H new ATOM 823 N PRO A 54 15.370 2.062 0.405 1.00 0.00 N ATOM 824 CA PRO A 54 14.850 1.589 -0.878 1.00 0.00 C ATOM 825 C PRO A 54 14.990 0.077 -1.010 1.00 0.00 C ATOM 826 O PRO A 54 14.140 -0.587 -1.594 1.00 0.00 O ATOM 827 CB PRO A 54 15.719 2.293 -1.916 1.00 0.00 C ATOM 828 CG PRO A 54 16.841 2.911 -1.139 1.00 0.00 C ATOM 829 CD PRO A 54 16.298 3.174 0.230 1.00 0.00 C ATOM 0 HA PRO A 54 13.788 1.806 -0.993 1.00 0.00 H new ATOM 0 HB2 PRO A 54 16.095 1.588 -2.657 1.00 0.00 H new ATOM 0 HB3 PRO A 54 15.151 3.050 -2.456 1.00 0.00 H new ATOM 0 HG2 PRO A 54 17.701 2.242 -1.096 1.00 0.00 H new ATOM 0 HG3 PRO A 54 17.179 3.835 -1.609 1.00 0.00 H new ATOM 0 HD2 PRO A 54 17.082 3.174 0.987 1.00 0.00 H new ATOM 0 HD3 PRO A 54 15.795 4.139 0.291 1.00 0.00 H new ATOM 837 N GLU A 55 16.064 -0.450 -0.433 1.00 0.00 N ATOM 838 CA GLU A 55 16.284 -1.883 -0.351 1.00 0.00 C ATOM 839 C GLU A 55 15.086 -2.557 0.304 1.00 0.00 C ATOM 840 O GLU A 55 14.572 -3.552 -0.182 1.00 0.00 O ATOM 841 CB GLU A 55 17.528 -2.148 0.463 1.00 0.00 C ATOM 842 CG GLU A 55 18.118 -3.504 0.177 1.00 0.00 C ATOM 843 CD GLU A 55 19.224 -3.873 1.137 1.00 0.00 C ATOM 844 OE1 GLU A 55 20.405 -3.842 0.734 1.00 0.00 O ATOM 845 OE2 GLU A 55 18.924 -4.186 2.307 1.00 0.00 O1- ATOM 0 H GLU A 55 16.806 0.108 -0.009 1.00 0.00 H new ATOM 0 HA GLU A 55 16.410 -2.289 -1.355 1.00 0.00 H new ATOM 0 HB2 GLU A 55 18.270 -1.379 0.250 1.00 0.00 H new ATOM 0 HB3 GLU A 55 17.288 -2.075 1.524 1.00 0.00 H new ATOM 0 HG2 GLU A 55 17.331 -4.256 0.229 1.00 0.00 H new ATOM 0 HG3 GLU A 55 18.506 -3.519 -0.841 1.00 0.00 H new ATOM 852 N GLU A 56 14.644 -1.958 1.389 1.00 0.00 N ATOM 853 CA GLU A 56 13.508 -2.423 2.170 1.00 0.00 C ATOM 854 C GLU A 56 12.185 -2.026 1.520 1.00 0.00 C ATOM 855 O GLU A 56 11.174 -2.713 1.657 1.00 0.00 O ATOM 856 CB GLU A 56 13.655 -1.828 3.565 1.00 0.00 C ATOM 857 CG GLU A 56 14.901 -2.300 4.269 1.00 0.00 C ATOM 858 CD GLU A 56 15.142 -1.592 5.582 1.00 0.00 C ATOM 859 OE1 GLU A 56 15.322 -2.275 6.607 1.00 0.00 O ATOM 860 OE2 GLU A 56 15.154 -0.347 5.592 1.00 0.00 O1- ATOM 0 H GLU A 56 15.073 -1.112 1.765 1.00 0.00 H new ATOM 0 HA GLU A 56 13.496 -3.512 2.223 1.00 0.00 H new ATOM 0 HB2 GLU A 56 13.674 -0.741 3.492 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.783 -2.093 4.162 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.826 -3.372 4.449 1.00 0.00 H new ATOM 0 HG3 GLU A 56 15.761 -2.146 3.617 1.00 0.00 H new ATOM 867 N LEU A 57 12.207 -0.934 0.794 1.00 0.00 N ATOM 868 CA LEU A 57 11.025 -0.410 0.159 1.00 0.00 C ATOM 869 C LEU A 57 10.694 -1.144 -1.131 1.00 0.00 C ATOM 870 O LEU A 57 9.528 -1.346 -1.449 1.00 0.00 O ATOM 871 CB LEU A 57 11.240 1.072 -0.076 1.00 0.00 C ATOM 872 CG LEU A 57 11.511 1.850 1.207 1.00 0.00 C ATOM 873 CD1 LEU A 57 11.947 3.271 0.915 1.00 0.00 C ATOM 874 CD2 LEU A 57 10.287 1.825 2.108 1.00 0.00 C ATOM 0 H LEU A 57 13.049 -0.383 0.627 1.00 0.00 H new ATOM 0 HA LEU A 57 10.164 -0.562 0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 57 12.078 1.207 -0.759 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.359 1.487 -0.566 1.00 0.00 H new ATOM 0 HG LEU A 57 12.334 1.363 1.730 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.131 3.795 1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.861 3.256 0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.163 3.785 0.360 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.495 2.384 3.020 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.443 2.279 1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.044 0.793 2.363 1.00 0.00 H new ATOM 886 N GLN A 58 11.710 -1.560 -1.877 1.00 0.00 N ATOM 887 CA GLN A 58 11.462 -2.237 -3.142 1.00 0.00 C ATOM 888 C GLN A 58 10.827 -3.605 -2.904 1.00 0.00 C ATOM 889 O GLN A 58 9.996 -4.051 -3.684 1.00 0.00 O ATOM 890 CB GLN A 58 12.757 -2.350 -3.949 1.00 0.00 C ATOM 891 CG GLN A 58 12.533 -2.336 -5.455 1.00 0.00 C ATOM 892 CD GLN A 58 12.476 -3.721 -6.067 1.00 0.00 C ATOM 893 OE1 GLN A 58 13.499 -4.280 -6.453 1.00 0.00 O ATOM 894 NE2 GLN A 58 11.282 -4.279 -6.175 1.00 0.00 N ATOM 0 H GLN A 58 12.694 -1.444 -1.634 1.00 0.00 H new ATOM 0 HA GLN A 58 10.757 -1.645 -3.725 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.418 -1.526 -3.680 1.00 0.00 H new ATOM 0 HB3 GLN A 58 13.269 -3.272 -3.674 1.00 0.00 H new ATOM 0 HG2 GLN A 58 11.602 -1.812 -5.672 1.00 0.00 H new ATOM 0 HG3 GLN A 58 13.335 -1.770 -5.929 1.00 0.00 H new ATOM 0 HE21 GLN A 58 10.455 -3.783 -5.843 1.00 0.00 H new ATOM 0 HE22 GLN A 58 11.188 -5.206 -6.591 1.00 0.00 H new ATOM 903 N GLU A 59 11.194 -4.239 -1.801 1.00 0.00 N ATOM 904 CA GLU A 59 10.616 -5.524 -1.412 1.00 0.00 C ATOM 905 C GLU A 59 9.156 -5.351 -1.055 1.00 0.00 C ATOM 906 O GLU A 59 8.292 -6.087 -1.524 1.00 0.00 O ATOM 907 CB GLU A 59 11.354 -6.067 -0.234 1.00 0.00 C ATOM 908 CG GLU A 59 12.842 -5.848 -0.325 1.00 0.00 C ATOM 909 CD GLU A 59 13.530 -6.831 -1.250 1.00 0.00 C ATOM 910 OE1 GLU A 59 13.603 -6.557 -2.465 1.00 0.00 O ATOM 911 OE2 GLU A 59 14.008 -7.880 -0.769 1.00 0.00 O1- ATOM 0 H GLU A 59 11.896 -3.884 -1.152 1.00 0.00 H new ATOM 0 HA GLU A 59 10.699 -6.218 -2.249 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.977 -5.596 0.674 1.00 0.00 H new ATOM 0 HB3 GLU A 59 11.153 -7.135 -0.146 1.00 0.00 H new ATOM 0 HG2 GLU A 59 13.034 -4.834 -0.675 1.00 0.00 H new ATOM 0 HG3 GLU A 59 13.277 -5.929 0.671 1.00 0.00 H new ATOM 918 N MET A 60 8.903 -4.373 -0.204 1.00 0.00 N ATOM 919 CA MET A 60 7.535 -4.000 0.165 1.00 0.00 C ATOM 920 C MET A 60 6.699 -3.597 -1.049 1.00 0.00 C ATOM 921 O MET A 60 5.501 -3.874 -1.106 1.00 0.00 O ATOM 922 CB MET A 60 7.536 -2.858 1.151 1.00 0.00 C ATOM 923 CG MET A 60 6.150 -2.485 1.579 1.00 0.00 C ATOM 924 SD MET A 60 6.089 -1.015 2.603 1.00 0.00 S ATOM 925 CE MET A 60 6.098 -1.821 4.179 1.00 0.00 C ATOM 0 H MET A 60 9.626 -3.816 0.251 1.00 0.00 H new ATOM 0 HA MET A 60 7.088 -4.885 0.619 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.123 -3.135 2.026 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.022 -1.992 0.702 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.535 -2.327 0.693 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.711 -3.319 2.127 1.00 0.00 H new ATOM 0 HE1 MET A 60 6.100 -1.072 4.971 1.00 0.00 H new ATOM 0 HE2 MET A 60 5.210 -2.446 4.273 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.990 -2.442 4.265 1.00 0.00 H new ATOM 935 N ILE A 61 7.311 -2.907 -1.996 1.00 0.00 N ATOM 936 CA ILE A 61 6.635 -2.577 -3.242 1.00 0.00 C ATOM 937 C ILE A 61 6.372 -3.849 -4.027 1.00 0.00 C ATOM 938 O ILE A 61 5.252 -4.098 -4.456 1.00 0.00 O ATOM 939 CB ILE A 61 7.456 -1.573 -4.085 1.00 0.00 C ATOM 940 CG1 ILE A 61 7.362 -0.186 -3.466 1.00 0.00 C ATOM 941 CG2 ILE A 61 6.984 -1.547 -5.530 1.00 0.00 C ATOM 942 CD1 ILE A 61 8.208 0.855 -4.148 1.00 0.00 C ATOM 0 H ILE A 61 8.270 -2.565 -1.928 1.00 0.00 H new ATOM 0 HA ILE A 61 5.686 -2.097 -3.004 1.00 0.00 H new ATOM 0 HB ILE A 61 8.497 -1.895 -4.087 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.322 0.138 -3.486 1.00 0.00 H new ATOM 0 HG13 ILE A 61 7.657 -0.248 -2.418 1.00 0.00 H new ATOM 0 HG21 ILE A 61 7.581 -0.832 -6.095 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.096 -2.539 -5.967 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.935 -1.252 -5.565 1.00 0.00 H new ATOM 0 HD11 ILE A 61 8.082 1.813 -3.644 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.256 0.557 -4.105 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.900 0.949 -5.189 1.00 0.00 H new ATOM 954 N ASP A 62 7.405 -4.672 -4.144 1.00 0.00 N ATOM 955 CA ASP A 62 7.337 -5.938 -4.868 1.00 0.00 C ATOM 956 C ASP A 62 6.269 -6.840 -4.300 1.00 0.00 C ATOM 957 O ASP A 62 5.689 -7.665 -5.009 1.00 0.00 O ATOM 958 CB ASP A 62 8.659 -6.653 -4.763 1.00 0.00 C ATOM 959 CG ASP A 62 8.753 -7.868 -5.666 1.00 0.00 C ATOM 960 OD1 ASP A 62 8.949 -7.694 -6.888 1.00 0.00 O ATOM 961 OD2 ASP A 62 8.643 -9.001 -5.157 1.00 0.00 O1- ATOM 0 H ASP A 62 8.321 -4.481 -3.737 1.00 0.00 H new ATOM 0 HA ASP A 62 7.098 -5.712 -5.907 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.461 -5.959 -5.013 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.816 -6.963 -3.730 1.00 0.00 H new ATOM 966 N GLU A 63 6.036 -6.671 -3.006 1.00 0.00 N ATOM 967 CA GLU A 63 5.017 -7.407 -2.286 1.00 0.00 C ATOM 968 C GLU A 63 3.733 -7.457 -3.081 1.00 0.00 C ATOM 969 O GLU A 63 3.163 -8.521 -3.323 1.00 0.00 O ATOM 970 CB GLU A 63 4.713 -6.707 -0.977 1.00 0.00 C ATOM 971 CG GLU A 63 5.519 -7.203 0.194 1.00 0.00 C ATOM 972 CD GLU A 63 5.097 -6.527 1.482 1.00 0.00 C ATOM 973 OE1 GLU A 63 5.896 -5.775 2.073 1.00 0.00 O ATOM 974 OE2 GLU A 63 3.940 -6.729 1.907 1.00 0.00 O1- ATOM 0 H GLU A 63 6.555 -6.013 -2.425 1.00 0.00 H new ATOM 0 HA GLU A 63 5.391 -8.416 -2.114 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.892 -5.639 -1.100 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.654 -6.829 -0.751 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.397 -8.282 0.291 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.578 -7.017 0.014 1.00 0.00 H new ATOM 981 N VAL A 64 3.306 -6.288 -3.503 1.00 0.00 N ATOM 982 CA VAL A 64 2.056 -6.144 -4.197 1.00 0.00 C ATOM 983 C VAL A 64 2.272 -5.767 -5.660 1.00 0.00 C ATOM 984 O VAL A 64 1.379 -5.940 -6.490 1.00 0.00 O ATOM 985 CB VAL A 64 1.164 -5.119 -3.475 1.00 0.00 C ATOM 986 CG1 VAL A 64 0.581 -5.758 -2.237 1.00 0.00 C ATOM 987 CG2 VAL A 64 1.944 -3.879 -3.064 1.00 0.00 C ATOM 0 H VAL A 64 3.818 -5.415 -3.373 1.00 0.00 H new ATOM 0 HA VAL A 64 1.545 -7.107 -4.189 1.00 0.00 H new ATOM 0 HB VAL A 64 0.378 -4.814 -4.166 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.053 -5.038 -1.720 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.014 -6.626 -2.521 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.388 -6.072 -1.575 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.277 -3.181 -2.558 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.751 -4.164 -2.389 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.363 -3.402 -3.950 1.00 0.00 H new ATOM 997 N ASP A 65 3.469 -5.270 -5.966 1.00 0.00 N ATOM 998 CA ASP A 65 3.880 -5.005 -7.345 1.00 0.00 C ATOM 999 C ASP A 65 3.837 -6.306 -8.123 1.00 0.00 C ATOM 1000 O ASP A 65 4.482 -7.282 -7.741 1.00 0.00 O ATOM 1001 CB ASP A 65 5.314 -4.442 -7.390 1.00 0.00 C ATOM 1002 CG ASP A 65 5.712 -3.874 -8.746 1.00 0.00 C ATOM 1003 OD1 ASP A 65 5.148 -4.300 -9.775 1.00 0.00 O ATOM 1004 OD2 ASP A 65 6.617 -3.017 -8.795 1.00 0.00 O1- ATOM 0 H ASP A 65 4.178 -5.040 -5.270 1.00 0.00 H new ATOM 0 HA ASP A 65 3.203 -4.271 -7.781 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.410 -3.660 -6.637 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.013 -5.233 -7.119 1.00 0.00 H new ATOM 1009 N GLU A 66 3.072 -6.333 -9.194 1.00 0.00 N ATOM 1010 CA GLU A 66 2.926 -7.548 -9.971 1.00 0.00 C ATOM 1011 C GLU A 66 4.036 -7.691 -11.000 1.00 0.00 C ATOM 1012 O GLU A 66 4.536 -8.790 -11.232 1.00 0.00 O ATOM 1013 CB GLU A 66 1.569 -7.594 -10.645 1.00 0.00 C ATOM 1014 CG GLU A 66 0.432 -7.759 -9.674 1.00 0.00 C ATOM 1015 CD GLU A 66 -0.899 -7.918 -10.363 1.00 0.00 C ATOM 1016 OE1 GLU A 66 -1.338 -9.076 -10.545 1.00 0.00 O ATOM 1017 OE2 GLU A 66 -1.506 -6.896 -10.738 1.00 0.00 O1- ATOM 0 H GLU A 66 2.544 -5.534 -9.546 1.00 0.00 H new ATOM 0 HA GLU A 66 3.002 -8.389 -9.281 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.422 -6.676 -11.215 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.552 -8.418 -11.358 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.619 -8.630 -9.046 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.394 -6.893 -9.014 1.00 0.00 H new ATOM 1024 N ASP A 67 4.446 -6.583 -11.596 1.00 0.00 N ATOM 1025 CA ASP A 67 5.440 -6.640 -12.660 1.00 0.00 C ATOM 1026 C ASP A 67 6.851 -6.502 -12.097 1.00 0.00 C ATOM 1027 O ASP A 67 7.840 -6.722 -12.797 1.00 0.00 O ATOM 1028 CB ASP A 67 5.165 -5.535 -13.689 1.00 0.00 C ATOM 1029 CG ASP A 67 6.130 -5.554 -14.860 1.00 0.00 C ATOM 1030 OD1 ASP A 67 6.115 -6.532 -15.636 1.00 0.00 O ATOM 1031 OD2 ASP A 67 6.891 -4.576 -15.026 1.00 0.00 O1- ATOM 0 H ASP A 67 4.113 -5.646 -11.367 1.00 0.00 H new ATOM 0 HA ASP A 67 5.367 -7.611 -13.150 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.147 -5.642 -14.064 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.223 -4.565 -13.195 1.00 0.00 H new ATOM 1036 N GLY A 68 6.938 -6.184 -10.813 1.00 0.00 N ATOM 1037 CA GLY A 68 8.232 -6.051 -10.174 1.00 0.00 C ATOM 1038 C GLY A 68 8.928 -4.781 -10.606 1.00 0.00 C ATOM 1039 O GLY A 68 10.151 -4.684 -10.558 1.00 0.00 O ATOM 0 H GLY A 68 6.138 -6.016 -10.203 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.107 -6.050 -9.091 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.853 -6.912 -10.422 1.00 0.00 H new ATOM 1043 N SER A 69 8.133 -3.802 -11.019 1.00 0.00 N ATOM 1044 CA SER A 69 8.645 -2.590 -11.649 1.00 0.00 C ATOM 1045 C SER A 69 9.367 -1.679 -10.665 1.00 0.00 C ATOM 1046 O SER A 69 10.000 -0.695 -11.052 1.00 0.00 O ATOM 1047 CB SER A 69 7.495 -1.835 -12.305 1.00 0.00 C ATOM 1048 OG SER A 69 6.520 -1.440 -11.346 1.00 0.00 O ATOM 0 H SER A 69 7.117 -3.825 -10.927 1.00 0.00 H new ATOM 0 HA SER A 69 9.376 -2.894 -12.398 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.881 -0.954 -12.818 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.029 -2.465 -13.062 1.00 0.00 H new ATOM 0 HG SER A 69 6.608 -1.995 -10.543 1.00 0.00 H new ATOM 1054 N GLY A 70 9.266 -2.015 -9.397 1.00 0.00 N ATOM 1055 CA GLY A 70 9.841 -1.185 -8.358 1.00 0.00 C ATOM 1056 C GLY A 70 8.935 -0.020 -8.038 1.00 0.00 C ATOM 1057 O GLY A 70 9.323 0.921 -7.344 1.00 0.00 O ATOM 0 H GLY A 70 8.793 -2.854 -9.060 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.005 -1.781 -7.460 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.815 -0.816 -8.679 1.00 0.00 H new ATOM 1061 N THR A 71 7.719 -0.098 -8.560 1.00 0.00 N ATOM 1062 CA THR A 71 6.701 0.908 -8.335 1.00 0.00 C ATOM 1063 C THR A 71 5.334 0.259 -8.244 1.00 0.00 C ATOM 1064 O THR A 71 4.968 -0.570 -9.078 1.00 0.00 O ATOM 1065 CB THR A 71 6.671 1.970 -9.451 1.00 0.00 C ATOM 1066 OG1 THR A 71 7.001 1.381 -10.717 1.00 0.00 O ATOM 1067 CG2 THR A 71 7.612 3.123 -9.144 1.00 0.00 C ATOM 0 H THR A 71 7.413 -0.868 -9.155 1.00 0.00 H new ATOM 0 HA THR A 71 6.951 1.404 -7.397 1.00 0.00 H new ATOM 0 HB THR A 71 5.657 2.368 -9.502 1.00 0.00 H new ATOM 0 HG1 THR A 71 6.686 0.453 -10.738 1.00 0.00 H new ATOM 0 HG21 THR A 71 7.567 3.854 -9.951 1.00 0.00 H new ATOM 0 HG22 THR A 71 7.314 3.596 -8.208 1.00 0.00 H new ATOM 0 HG23 THR A 71 8.631 2.747 -9.052 1.00 0.00 H new ATOM 1075 N VAL A 72 4.581 0.636 -7.237 1.00 0.00 N ATOM 1076 CA VAL A 72 3.273 0.063 -7.023 1.00 0.00 C ATOM 1077 C VAL A 72 2.189 1.028 -7.485 1.00 0.00 C ATOM 1078 O VAL A 72 2.188 2.202 -7.118 1.00 0.00 O ATOM 1079 CB VAL A 72 3.085 -0.340 -5.538 1.00 0.00 C ATOM 1080 CG1 VAL A 72 1.809 0.230 -4.933 1.00 0.00 C ATOM 1081 CG2 VAL A 72 3.088 -1.852 -5.418 1.00 0.00 C ATOM 0 H VAL A 72 4.853 1.340 -6.551 1.00 0.00 H new ATOM 0 HA VAL A 72 3.187 -0.845 -7.620 1.00 0.00 H new ATOM 0 HB VAL A 72 3.918 0.083 -4.977 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.728 -0.084 -3.892 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.837 1.318 -4.983 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.947 -0.136 -5.490 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.956 -2.134 -4.374 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.273 -2.266 -6.012 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.038 -2.244 -5.782 1.00 0.00 H new ATOM 1091 N ASP A 73 1.293 0.541 -8.322 1.00 0.00 N ATOM 1092 CA ASP A 73 0.203 1.359 -8.820 1.00 0.00 C ATOM 1093 C ASP A 73 -1.092 0.948 -8.109 1.00 0.00 C ATOM 1094 O ASP A 73 -1.044 0.155 -7.170 1.00 0.00 O ATOM 1095 CB ASP A 73 0.129 1.240 -10.347 1.00 0.00 C ATOM 1096 CG ASP A 73 -0.860 2.188 -11.000 1.00 0.00 C ATOM 1097 OD1 ASP A 73 -2.025 1.788 -11.208 1.00 0.00 O ATOM 1098 OD2 ASP A 73 -0.474 3.332 -11.323 1.00 0.00 O1- ATOM 0 H ASP A 73 1.298 -0.417 -8.672 1.00 0.00 H new ATOM 0 HA ASP A 73 0.367 2.414 -8.601 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.120 1.424 -10.763 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.141 0.216 -10.607 1.00 0.00 H new ATOM 1103 N PHE A 74 -2.232 1.473 -8.537 1.00 0.00 N ATOM 1104 CA PHE A 74 -3.463 1.399 -7.754 1.00 0.00 C ATOM 1105 C PHE A 74 -3.893 -0.032 -7.425 1.00 0.00 C ATOM 1106 O PHE A 74 -4.297 -0.305 -6.298 1.00 0.00 O ATOM 1107 CB PHE A 74 -4.592 2.125 -8.478 1.00 0.00 C ATOM 1108 CG PHE A 74 -5.906 2.095 -7.745 1.00 0.00 C ATOM 1109 CD1 PHE A 74 -7.075 1.788 -8.419 1.00 0.00 C ATOM 1110 CD2 PHE A 74 -5.979 2.381 -6.387 1.00 0.00 C ATOM 1111 CE1 PHE A 74 -8.287 1.771 -7.762 1.00 0.00 C ATOM 1112 CE2 PHE A 74 -7.189 2.359 -5.727 1.00 0.00 C ATOM 1113 CZ PHE A 74 -8.344 2.058 -6.414 1.00 0.00 C ATOM 0 H PHE A 74 -2.332 1.959 -9.428 1.00 0.00 H new ATOM 0 HA PHE A 74 -3.250 1.887 -6.803 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -4.300 3.163 -8.637 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -4.726 1.677 -9.463 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.037 1.559 -9.474 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -5.078 2.623 -5.843 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -9.191 1.533 -8.302 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.231 2.578 -4.670 1.00 0.00 H new ATOM 0 HZ PHE A 74 -9.293 2.047 -5.898 1.00 0.00 H new ATOM 1123 N ASP A 75 -3.814 -0.938 -8.385 1.00 0.00 N ATOM 1124 CA ASP A 75 -4.296 -2.301 -8.160 1.00 0.00 C ATOM 1125 C ASP A 75 -3.372 -3.035 -7.191 1.00 0.00 C ATOM 1126 O ASP A 75 -3.834 -3.646 -6.226 1.00 0.00 O ATOM 1127 CB ASP A 75 -4.398 -3.062 -9.481 1.00 0.00 C ATOM 1128 CG ASP A 75 -5.425 -4.176 -9.439 1.00 0.00 C ATOM 1129 OD1 ASP A 75 -6.633 -3.872 -9.539 1.00 0.00 O ATOM 1130 OD2 ASP A 75 -5.037 -5.351 -9.328 1.00 0.00 O1- ATOM 0 H ASP A 75 -3.429 -0.765 -9.314 1.00 0.00 H new ATOM 0 HA ASP A 75 -5.292 -2.247 -7.720 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -4.657 -2.365 -10.278 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -3.423 -3.482 -9.730 1.00 0.00 H new ATOM 1135 N GLU A 76 -2.064 -2.961 -7.449 1.00 0.00 N ATOM 1136 CA GLU A 76 -1.055 -3.415 -6.515 1.00 0.00 C ATOM 1137 C GLU A 76 -1.282 -2.849 -5.126 1.00 0.00 C ATOM 1138 O GLU A 76 -1.336 -3.579 -4.133 1.00 0.00 O ATOM 1139 CB GLU A 76 0.269 -2.948 -7.019 1.00 0.00 C ATOM 1140 CG GLU A 76 0.574 -3.484 -8.391 1.00 0.00 C ATOM 1141 CD GLU A 76 0.207 -2.536 -9.503 1.00 0.00 C ATOM 1142 OE1 GLU A 76 -0.968 -2.522 -9.917 1.00 0.00 O ATOM 1143 OE2 GLU A 76 1.100 -1.805 -9.974 1.00 0.00 O1- ATOM 0 H GLU A 76 -1.684 -2.582 -8.316 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.100 -4.502 -6.442 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.283 -1.858 -7.045 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.051 -3.260 -6.326 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.638 -3.712 -8.455 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.038 -4.423 -8.533 1.00 0.00 H new ATOM 1150 N PHE A 77 -1.417 -1.537 -5.081 1.00 0.00 N ATOM 1151 CA PHE A 77 -1.630 -0.814 -3.844 1.00 0.00 C ATOM 1152 C PHE A 77 -2.907 -1.270 -3.152 1.00 0.00 C ATOM 1153 O PHE A 77 -2.938 -1.403 -1.932 1.00 0.00 O ATOM 1154 CB PHE A 77 -1.680 0.681 -4.133 1.00 0.00 C ATOM 1155 CG PHE A 77 -1.920 1.513 -2.931 1.00 0.00 C ATOM 1156 CD1 PHE A 77 -3.176 1.970 -2.685 1.00 0.00 C ATOM 1157 CD2 PHE A 77 -0.899 1.838 -2.064 1.00 0.00 C ATOM 1158 CE1 PHE A 77 -3.443 2.751 -1.584 1.00 0.00 C ATOM 1159 CE2 PHE A 77 -1.149 2.617 -0.959 1.00 0.00 C ATOM 1160 CZ PHE A 77 -2.426 3.077 -0.715 1.00 0.00 C ATOM 0 H PHE A 77 -1.382 -0.940 -5.908 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.800 -1.023 -3.169 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.739 0.985 -4.592 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.467 0.875 -4.861 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -3.977 1.716 -3.364 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.102 1.479 -2.253 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.446 3.107 -1.402 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.346 2.869 -0.282 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.627 3.689 0.152 1.00 0.00 H new ATOM 1170 N LEU A 78 -3.947 -1.523 -3.931 1.00 0.00 N ATOM 1171 CA LEU A 78 -5.211 -1.991 -3.383 1.00 0.00 C ATOM 1172 C LEU A 78 -5.003 -3.317 -2.687 1.00 0.00 C ATOM 1173 O LEU A 78 -5.529 -3.541 -1.606 1.00 0.00 O ATOM 1174 CB LEU A 78 -6.248 -2.136 -4.498 1.00 0.00 C ATOM 1175 CG LEU A 78 -7.712 -1.918 -4.101 1.00 0.00 C ATOM 1176 CD1 LEU A 78 -7.849 -1.404 -2.680 1.00 0.00 C ATOM 1177 CD2 LEU A 78 -8.342 -0.933 -5.041 1.00 0.00 C ATOM 0 H LEU A 78 -3.941 -1.412 -4.945 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.579 -1.263 -2.660 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.000 -1.429 -5.289 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.155 -3.135 -4.923 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.216 -2.883 -4.159 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.904 -1.265 -2.444 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.414 -2.126 -1.988 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.327 -0.452 -2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.384 -0.777 -4.760 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.806 0.015 -4.988 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.295 -1.320 -6.059 1.00 0.00 H new ATOM 1189 N VAL A 79 -4.211 -4.175 -3.307 1.00 0.00 N ATOM 1190 CA VAL A 79 -3.828 -5.441 -2.697 1.00 0.00 C ATOM 1191 C VAL A 79 -3.082 -5.201 -1.390 1.00 0.00 C ATOM 1192 O VAL A 79 -3.382 -5.827 -0.374 1.00 0.00 O ATOM 1193 CB VAL A 79 -2.936 -6.273 -3.640 1.00 0.00 C ATOM 1194 CG1 VAL A 79 -2.352 -7.469 -2.922 1.00 0.00 C ATOM 1195 CG2 VAL A 79 -3.721 -6.749 -4.833 1.00 0.00 C ATOM 0 H VAL A 79 -3.819 -4.019 -4.235 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.745 -5.996 -2.500 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.124 -5.627 -3.974 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.727 -8.038 -3.611 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.748 -7.129 -2.081 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.159 -8.104 -2.556 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.073 -7.334 -5.485 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.553 -7.369 -4.498 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.107 -5.889 -5.381 1.00 0.00 H new ATOM 1205 N MET A 80 -2.126 -4.275 -1.417 1.00 0.00 N ATOM 1206 CA MET A 80 -1.304 -3.974 -0.246 1.00 0.00 C ATOM 1207 C MET A 80 -2.171 -3.418 0.864 1.00 0.00 C ATOM 1208 O MET A 80 -1.896 -3.602 2.049 1.00 0.00 O ATOM 1209 CB MET A 80 -0.201 -2.979 -0.613 1.00 0.00 C ATOM 1210 CG MET A 80 0.900 -2.872 0.430 1.00 0.00 C ATOM 1211 SD MET A 80 0.921 -1.322 1.337 1.00 0.00 S ATOM 1212 CE MET A 80 1.738 -0.247 0.153 1.00 0.00 C ATOM 0 H MET A 80 -1.900 -3.718 -2.241 1.00 0.00 H new ATOM 0 HA MET A 80 -0.835 -4.894 0.103 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.240 -3.275 -1.565 1.00 0.00 H new ATOM 0 HB3 MET A 80 -0.646 -1.995 -0.760 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.791 -3.692 1.140 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.863 -3.003 -0.063 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.826 0.755 0.572 1.00 0.00 H new ATOM 0 HE2 MET A 80 2.732 -0.637 -0.067 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.153 -0.206 -0.766 1.00 0.00 H new ATOM 1222 N MET A 81 -3.240 -2.770 0.455 1.00 0.00 N ATOM 1223 CA MET A 81 -4.155 -2.138 1.352 1.00 0.00 C ATOM 1224 C MET A 81 -4.990 -3.160 2.118 1.00 0.00 C ATOM 1225 O MET A 81 -5.258 -2.976 3.301 1.00 0.00 O ATOM 1226 CB MET A 81 -5.018 -1.183 0.544 1.00 0.00 C ATOM 1227 CG MET A 81 -4.396 0.197 0.376 1.00 0.00 C ATOM 1228 SD MET A 81 -3.484 0.743 1.833 1.00 0.00 S ATOM 1229 CE MET A 81 -1.835 0.158 1.427 1.00 0.00 C ATOM 0 H MET A 81 -3.493 -2.672 -0.528 1.00 0.00 H new ATOM 0 HA MET A 81 -3.607 -1.580 2.111 1.00 0.00 H new ATOM 0 HB2 MET A 81 -5.200 -1.614 -0.441 1.00 0.00 H new ATOM 0 HB3 MET A 81 -5.988 -1.080 1.031 1.00 0.00 H new ATOM 0 HG2 MET A 81 -3.724 0.184 -0.482 1.00 0.00 H new ATOM 0 HG3 MET A 81 -5.182 0.919 0.155 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.592 -0.705 2.047 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.799 -0.128 0.376 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.111 0.952 1.612 1.00 0.00 H new ATOM 1239 N VAL A 82 -5.382 -4.247 1.454 1.00 0.00 N ATOM 1240 CA VAL A 82 -6.132 -5.314 2.124 1.00 0.00 C ATOM 1241 C VAL A 82 -5.200 -6.167 2.980 1.00 0.00 C ATOM 1242 O VAL A 82 -5.598 -6.691 4.025 1.00 0.00 O ATOM 1243 CB VAL A 82 -6.903 -6.238 1.137 1.00 0.00 C ATOM 1244 CG1 VAL A 82 -6.889 -5.704 -0.281 1.00 0.00 C ATOM 1245 CG2 VAL A 82 -6.369 -7.651 1.175 1.00 0.00 C ATOM 0 H VAL A 82 -5.197 -4.413 0.465 1.00 0.00 H new ATOM 0 HA VAL A 82 -6.871 -4.813 2.749 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.940 -6.251 1.471 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -7.440 -6.384 -0.931 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -7.358 -4.720 -0.304 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.859 -5.623 -0.629 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.929 -8.271 0.474 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.315 -7.649 0.896 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.477 -8.054 2.182 1.00 0.00 H new ATOM 1255 N ARG A 83 -3.959 -6.297 2.529 1.00 0.00 N ATOM 1256 CA ARG A 83 -2.987 -7.145 3.195 1.00 0.00 C ATOM 1257 C ARG A 83 -2.717 -6.648 4.605 1.00 0.00 C ATOM 1258 O ARG A 83 -2.642 -7.435 5.542 1.00 0.00 O ATOM 1259 CB ARG A 83 -1.699 -7.210 2.368 1.00 0.00 C ATOM 1260 CG ARG A 83 -1.875 -7.985 1.075 1.00 0.00 C ATOM 1261 CD ARG A 83 -0.690 -7.851 0.130 1.00 0.00 C ATOM 1262 NE ARG A 83 0.559 -8.365 0.693 1.00 0.00 N ATOM 1263 CZ ARG A 83 1.526 -8.932 -0.035 1.00 0.00 C ATOM 1264 NH1 ARG A 83 1.371 -9.107 -1.342 1.00 0.00 N1+ ATOM 1265 NH2 ARG A 83 2.642 -9.334 0.549 1.00 0.00 N ATOM 0 H ARG A 83 -3.603 -5.822 1.700 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.392 -8.154 3.277 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.367 -6.197 2.138 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.913 -7.676 2.962 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -2.028 -9.039 1.308 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.776 -7.636 0.570 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.910 -8.383 -0.795 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.558 -6.801 -0.130 1.00 0.00 H new ATOM 0 HE ARG A 83 0.700 -8.286 1.700 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.509 -8.808 -1.798 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.114 -9.541 -1.890 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.764 -9.211 1.554 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.381 -9.767 -0.006 1.00 0.00 H new ATOM 1279 N SER A 84 -2.565 -5.344 4.747 1.00 0.00 N ATOM 1280 CA SER A 84 -2.412 -4.730 6.054 1.00 0.00 C ATOM 1281 C SER A 84 -3.767 -4.541 6.743 1.00 0.00 C ATOM 1282 O SER A 84 -3.844 -4.373 7.961 1.00 0.00 O ATOM 1283 CB SER A 84 -1.698 -3.398 5.894 1.00 0.00 C ATOM 1284 OG SER A 84 -0.529 -3.548 5.109 1.00 0.00 O ATOM 0 H SER A 84 -2.544 -4.686 3.968 1.00 0.00 H new ATOM 0 HA SER A 84 -1.818 -5.389 6.688 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.366 -2.675 5.426 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.435 -3.000 6.874 1.00 0.00 H new ATOM 0 HG SER A 84 0.239 -3.177 5.592 1.00 0.00 H new ATOM 1290 N MET A 85 -4.830 -4.566 5.949 1.00 0.00 N ATOM 1291 CA MET A 85 -6.179 -4.330 6.438 1.00 0.00 C ATOM 1292 C MET A 85 -6.655 -5.452 7.357 1.00 0.00 C ATOM 1293 O MET A 85 -7.152 -5.192 8.452 1.00 0.00 O ATOM 1294 CB MET A 85 -7.127 -4.203 5.252 1.00 0.00 C ATOM 1295 CG MET A 85 -7.925 -2.918 5.232 1.00 0.00 C ATOM 1296 SD MET A 85 -9.541 -3.085 4.448 1.00 0.00 S ATOM 1297 CE MET A 85 -9.108 -3.974 2.961 1.00 0.00 C ATOM 0 H MET A 85 -4.779 -4.751 4.947 1.00 0.00 H new ATOM 0 HA MET A 85 -6.172 -3.408 7.019 1.00 0.00 H new ATOM 0 HB2 MET A 85 -6.550 -4.273 4.330 1.00 0.00 H new ATOM 0 HB3 MET A 85 -7.817 -5.046 5.261 1.00 0.00 H new ATOM 0 HG2 MET A 85 -8.061 -2.568 6.255 1.00 0.00 H new ATOM 0 HG3 MET A 85 -7.353 -2.153 4.707 1.00 0.00 H new ATOM 0 HE1 MET A 85 -10.010 -4.184 2.387 1.00 0.00 H new ATOM 0 HE2 MET A 85 -8.428 -3.370 2.361 1.00 0.00 H new ATOM 0 HE3 MET A 85 -8.621 -4.912 3.227 1.00 0.00 H new ATOM 1307 N LYS A 86 -6.500 -6.695 6.909 1.00 0.00 N ATOM 1308 CA LYS A 86 -6.986 -7.844 7.672 1.00 0.00 C ATOM 1309 C LYS A 86 -6.177 -8.017 8.951 1.00 0.00 C ATOM 1310 O LYS A 86 -6.735 -8.243 10.026 1.00 0.00 O ATOM 1311 CB LYS A 86 -6.906 -9.125 6.836 1.00 0.00 C ATOM 1312 CG LYS A 86 -7.634 -10.313 7.456 1.00 0.00 C ATOM 1313 CD LYS A 86 -9.138 -10.090 7.512 1.00 0.00 C ATOM 1314 CE LYS A 86 -9.868 -11.292 8.093 1.00 0.00 C ATOM 1315 NZ LYS A 86 -9.488 -11.551 9.509 1.00 0.00 N1+ ATOM 0 H LYS A 86 -6.045 -6.933 6.028 1.00 0.00 H new ATOM 0 HA LYS A 86 -8.028 -7.657 7.931 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.325 -8.930 5.849 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.858 -9.388 6.692 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.421 -11.212 6.877 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.255 -10.486 8.463 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.352 -9.208 8.116 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.513 -9.888 6.509 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -10.944 -11.126 8.032 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.647 -12.174 7.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.116 -12.277 9.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.504 -11.884 9.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.579 -10.673 10.059 1.00 0.00 H new ATOM 1329 N ASP A 87 -4.863 -7.906 8.818 1.00 0.00 N ATOM 1330 CA ASP A 87 -3.947 -8.062 9.939 1.00 0.00 C ATOM 1331 C ASP A 87 -2.533 -7.771 9.466 1.00 0.00 C ATOM 1332 O ASP A 87 -2.251 -7.866 8.274 1.00 0.00 O ATOM 1333 CB ASP A 87 -4.019 -9.487 10.511 1.00 0.00 C ATOM 1334 CG ASP A 87 -3.271 -9.631 11.823 1.00 0.00 C ATOM 1335 OD1 ASP A 87 -3.895 -9.465 12.890 1.00 0.00 O ATOM 1336 OD2 ASP A 87 -2.054 -9.910 11.799 1.00 0.00 O1- ATOM 0 H ASP A 87 -4.402 -7.705 7.931 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.230 -7.364 10.727 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.063 -9.761 10.661 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.607 -10.187 9.784 1.00 0.00 H new ATOM 1341 N ASP A 88 -1.652 -7.427 10.388 1.00 0.00 N ATOM 1342 CA ASP A 88 -0.255 -7.183 10.057 1.00 0.00 C ATOM 1343 C ASP A 88 0.395 -8.450 9.513 1.00 0.00 C ATOM 1344 O ASP A 88 1.309 -8.393 8.696 1.00 0.00 O ATOM 1345 CB ASP A 88 0.503 -6.697 11.291 1.00 0.00 C ATOM 1346 CG ASP A 88 1.972 -6.444 11.020 1.00 0.00 C ATOM 1347 OD1 ASP A 88 2.298 -5.417 10.393 1.00 0.00 O ATOM 1348 OD2 ASP A 88 2.818 -7.256 11.464 1.00 0.00 O1- ATOM 0 H ASP A 88 -1.878 -7.309 11.376 1.00 0.00 H new ATOM 0 HA ASP A 88 -0.213 -6.411 9.288 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.043 -5.779 11.655 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.408 -7.438 12.085 1.00 0.00 H new ATOM 1353 N SER A 89 -0.099 -9.597 9.960 1.00 0.00 N ATOM 1354 CA SER A 89 0.442 -10.877 9.535 1.00 0.00 C ATOM 1355 C SER A 89 -0.360 -11.474 8.377 1.00 0.00 C ATOM 1356 O SER A 89 -0.111 -12.605 7.959 1.00 0.00 O ATOM 1357 CB SER A 89 0.466 -11.839 10.710 1.00 0.00 C ATOM 1358 OG SER A 89 1.126 -11.260 11.825 1.00 0.00 O ATOM 0 H SER A 89 -0.875 -9.665 10.618 1.00 0.00 H new ATOM 0 HA SER A 89 1.459 -10.712 9.178 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.554 -12.108 10.985 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.972 -12.760 10.421 1.00 0.00 H new ATOM 0 HG SER A 89 2.088 -11.206 11.644 1.00 0.00 H new ATOM 1364 N LYS A 90 -1.322 -10.713 7.858 1.00 0.00 N ATOM 1365 CA LYS A 90 -2.123 -11.171 6.729 1.00 0.00 C ATOM 1366 C LYS A 90 -1.273 -11.249 5.468 1.00 0.00 C ATOM 1367 O LYS A 90 -0.989 -12.336 4.962 1.00 0.00 O ATOM 1368 CB LYS A 90 -3.317 -10.259 6.488 1.00 0.00 C ATOM 1369 CG LYS A 90 -4.183 -10.740 5.339 1.00 0.00 C ATOM 1370 CD LYS A 90 -4.743 -12.122 5.614 1.00 0.00 C ATOM 1371 CE LYS A 90 -5.832 -12.499 4.639 1.00 0.00 C ATOM 1372 NZ LYS A 90 -6.292 -13.896 4.852 1.00 0.00 N1+ ATOM 0 H LYS A 90 -1.563 -9.783 8.200 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.495 -12.166 6.974 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.918 -10.203 7.395 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.964 -9.250 6.277 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -5.002 -10.038 5.179 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -3.596 -10.759 4.421 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.939 -12.856 5.560 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -5.138 -12.157 6.629 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -6.674 -11.816 4.750 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.464 -12.387 3.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -6.953 -14.163 4.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -5.473 -14.537 4.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -6.773 -13.967 5.772 1.00 0.00 H new ATOM 1386 N GLY A 136 -0.864 -10.098 4.968 1.00 0.00 N ATOM 1387 CA GLY A 136 -0.044 -10.070 3.778 1.00 0.00 C ATOM 1388 C GLY A 136 1.330 -9.510 4.053 1.00 0.00 C ATOM 1389 O GLY A 136 2.084 -9.217 3.130 1.00 0.00 O ATOM 0 H GLY A 136 -1.084 -9.184 5.363 1.00 0.00 H new ATOM 0 HA2 GLY A 136 0.049 -11.080 3.378 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -0.535 -9.468 3.013 1.00 0.00 H new ATOM 1393 N LYS A 137 1.649 -9.344 5.323 1.00 0.00 N ATOM 1394 CA LYS A 137 2.958 -8.866 5.732 1.00 0.00 C ATOM 1395 C LYS A 137 3.483 -9.745 6.856 1.00 0.00 C ATOM 1396 O LYS A 137 2.996 -10.865 7.026 1.00 0.00 O ATOM 1397 CB LYS A 137 2.887 -7.397 6.163 1.00 0.00 C ATOM 1398 CG LYS A 137 2.499 -6.463 5.030 1.00 0.00 C ATOM 1399 CD LYS A 137 2.713 -5.009 5.403 1.00 0.00 C ATOM 1400 CE LYS A 137 2.574 -4.107 4.192 1.00 0.00 C ATOM 1401 NZ LYS A 137 3.555 -4.448 3.124 1.00 0.00 N1+ ATOM 0 H LYS A 137 1.013 -9.535 6.097 1.00 0.00 H new ATOM 0 HA LYS A 137 3.646 -8.925 4.888 1.00 0.00 H new ATOM 0 HB2 LYS A 137 2.164 -7.296 6.973 1.00 0.00 H new ATOM 0 HB3 LYS A 137 3.856 -7.094 6.561 1.00 0.00 H new ATOM 0 HG2 LYS A 137 3.087 -6.702 4.144 1.00 0.00 H new ATOM 0 HG3 LYS A 137 1.452 -6.622 4.770 1.00 0.00 H new ATOM 0 HD2 LYS A 137 1.989 -4.715 6.164 1.00 0.00 H new ATOM 0 HD3 LYS A 137 3.704 -4.885 5.841 1.00 0.00 H new ATOM 0 HE2 LYS A 137 1.563 -4.188 3.794 1.00 0.00 H new ATOM 0 HE3 LYS A 137 2.715 -3.070 4.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 3.530 -3.718 2.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 4.510 -4.495 3.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 3.310 -5.370 2.709 1.00 0.00 H new ATOM 1415 N PHE A 138 4.496 -9.262 7.586 1.00 0.00 N ATOM 1416 CA PHE A 138 5.086 -9.996 8.718 1.00 0.00 C ATOM 1417 C PHE A 138 5.987 -11.129 8.225 1.00 0.00 C ATOM 1418 O PHE A 138 6.967 -11.486 8.876 1.00 0.00 O ATOM 1419 CB PHE A 138 3.986 -10.538 9.646 1.00 0.00 C ATOM 1420 CG PHE A 138 4.483 -11.277 10.856 1.00 0.00 C ATOM 1421 CD1 PHE A 138 4.566 -12.661 10.852 1.00 0.00 C ATOM 1422 CD2 PHE A 138 4.850 -10.591 12.003 1.00 0.00 C ATOM 1423 CE1 PHE A 138 5.007 -13.345 11.967 1.00 0.00 C ATOM 1424 CE2 PHE A 138 5.294 -11.272 13.120 1.00 0.00 C ATOM 1425 CZ PHE A 138 5.372 -12.650 13.102 1.00 0.00 C ATOM 0 H PHE A 138 4.930 -8.356 7.412 1.00 0.00 H new ATOM 0 HA PHE A 138 5.702 -9.301 9.288 1.00 0.00 H new ATOM 0 HB2 PHE A 138 3.367 -9.704 9.977 1.00 0.00 H new ATOM 0 HB3 PHE A 138 3.342 -11.204 9.071 1.00 0.00 H new ATOM 0 HD1 PHE A 138 4.282 -13.210 9.966 1.00 0.00 H new ATOM 0 HD2 PHE A 138 4.788 -9.513 12.024 1.00 0.00 H new ATOM 0 HE1 PHE A 138 5.066 -14.423 11.951 1.00 0.00 H new ATOM 0 HE2 PHE A 138 5.580 -10.726 14.007 1.00 0.00 H new ATOM 0 HZ PHE A 138 5.718 -13.184 13.975 1.00 0.00 H new ATOM 1435 N LYS A 139 5.644 -11.677 7.070 1.00 0.00 N ATOM 1436 CA LYS A 139 6.418 -12.736 6.440 1.00 0.00 C ATOM 1437 C LYS A 139 7.695 -12.179 5.818 1.00 0.00 C ATOM 1438 O LYS A 139 8.076 -11.041 6.073 1.00 0.00 O ATOM 1439 CB LYS A 139 5.571 -13.403 5.348 1.00 0.00 C ATOM 1440 CG LYS A 139 4.384 -14.197 5.869 1.00 0.00 C ATOM 1441 CD LYS A 139 3.580 -14.800 4.725 1.00 0.00 C ATOM 1442 CE LYS A 139 2.277 -15.412 5.215 1.00 0.00 C ATOM 1443 NZ LYS A 139 1.502 -16.037 4.110 1.00 0.00 N1+ ATOM 0 H LYS A 139 4.818 -11.399 6.541 1.00 0.00 H new ATOM 0 HA LYS A 139 6.692 -13.466 7.201 1.00 0.00 H new ATOM 0 HB2 LYS A 139 5.207 -12.633 4.667 1.00 0.00 H new ATOM 0 HB3 LYS A 139 6.209 -14.068 4.766 1.00 0.00 H new ATOM 0 HG2 LYS A 139 4.735 -14.991 6.528 1.00 0.00 H new ATOM 0 HG3 LYS A 139 3.743 -13.548 6.465 1.00 0.00 H new ATOM 0 HD2 LYS A 139 3.364 -14.029 3.986 1.00 0.00 H new ATOM 0 HD3 LYS A 139 4.175 -15.564 4.225 1.00 0.00 H new ATOM 0 HE2 LYS A 139 2.493 -16.162 5.975 1.00 0.00 H new ATOM 0 HE3 LYS A 139 1.671 -14.641 5.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 0.622 -16.441 4.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 1.273 -15.316 3.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 2.069 -16.791 3.672 1.00 0.00 H new ATOM 1457 N ARG A 140 8.340 -13.002 5.001 1.00 0.00 N ATOM 1458 CA ARG A 140 9.488 -12.578 4.196 1.00 0.00 C ATOM 1459 C ARG A 140 9.232 -11.269 3.426 1.00 0.00 C ATOM 1460 O ARG A 140 10.083 -10.378 3.444 1.00 0.00 O ATOM 1461 CB ARG A 140 9.851 -13.667 3.195 1.00 0.00 C ATOM 1462 CG ARG A 140 10.495 -14.896 3.806 1.00 0.00 C ATOM 1463 CD ARG A 140 10.767 -15.937 2.742 1.00 0.00 C ATOM 1464 NE ARG A 140 11.319 -17.171 3.295 1.00 0.00 N ATOM 1465 CZ ARG A 140 11.448 -18.304 2.607 1.00 0.00 C ATOM 1466 NH1 ARG A 140 11.028 -18.378 1.348 1.00 0.00 N1+ ATOM 1467 NH2 ARG A 140 11.985 -19.368 3.188 1.00 0.00 N ATOM 0 H ARG A 140 8.086 -13.982 4.875 1.00 0.00 H new ATOM 0 HA ARG A 140 10.306 -12.400 4.894 1.00 0.00 H new ATOM 0 HB2 ARG A 140 8.948 -13.971 2.665 1.00 0.00 H new ATOM 0 HB3 ARG A 140 10.530 -13.248 2.452 1.00 0.00 H new ATOM 0 HG2 ARG A 140 11.427 -14.619 4.298 1.00 0.00 H new ATOM 0 HG3 ARG A 140 9.842 -15.313 4.572 1.00 0.00 H new ATOM 0 HD2 ARG A 140 9.841 -16.162 2.213 1.00 0.00 H new ATOM 0 HD3 ARG A 140 11.462 -15.529 2.008 1.00 0.00 H new ATOM 0 HE ARG A 140 11.625 -17.165 4.268 1.00 0.00 H new ATOM 0 HH11 ARG A 140 10.604 -17.564 0.903 1.00 0.00 H new ATOM 0 HH12 ARG A 140 11.130 -19.249 0.827 1.00 0.00 H new ATOM 0 HH21 ARG A 140 12.297 -19.316 4.158 1.00 0.00 H new ATOM 0 HH22 ARG A 140 12.086 -20.238 2.665 1.00 0.00 H new ATOM 1481 N PRO A 141 8.077 -11.155 2.706 1.00 0.00 N ATOM 1482 CA PRO A 141 7.722 -9.981 1.906 1.00 0.00 C ATOM 1483 C PRO A 141 8.127 -8.651 2.548 1.00 0.00 C ATOM 1484 O PRO A 141 8.893 -7.881 1.967 1.00 0.00 O ATOM 1485 CB PRO A 141 6.192 -10.069 1.784 1.00 0.00 C ATOM 1486 CG PRO A 141 5.780 -11.374 2.381 1.00 0.00 C ATOM 1487 CD PRO A 141 7.032 -12.173 2.595 1.00 0.00 C ATOM 0 HA PRO A 141 8.248 -9.991 0.951 1.00 0.00 H new ATOM 0 HB2 PRO A 141 5.715 -9.239 2.305 1.00 0.00 H new ATOM 0 HB3 PRO A 141 5.884 -10.008 0.740 1.00 0.00 H new ATOM 0 HG2 PRO A 141 5.256 -11.218 3.324 1.00 0.00 H new ATOM 0 HG3 PRO A 141 5.094 -11.902 1.718 1.00 0.00 H new ATOM 0 HD2 PRO A 141 6.969 -12.783 3.496 1.00 0.00 H new ATOM 0 HD3 PRO A 141 7.221 -12.852 1.764 1.00 0.00 H new ATOM 1495 N THR A 142 7.620 -8.392 3.746 1.00 0.00 N ATOM 1496 CA THR A 142 7.948 -7.168 4.453 1.00 0.00 C ATOM 1497 C THR A 142 9.114 -7.402 5.389 1.00 0.00 C ATOM 1498 O THR A 142 9.072 -8.281 6.248 1.00 0.00 O ATOM 1499 CB THR A 142 6.748 -6.636 5.257 1.00 0.00 C ATOM 1500 OG1 THR A 142 5.544 -6.880 4.530 1.00 0.00 O ATOM 1501 CG2 THR A 142 6.887 -5.145 5.497 1.00 0.00 C ATOM 0 H THR A 142 6.982 -9.013 4.245 1.00 0.00 H new ATOM 0 HA THR A 142 8.217 -6.422 3.705 1.00 0.00 H new ATOM 0 HB THR A 142 6.717 -7.149 6.218 1.00 0.00 H new ATOM 0 HG1 THR A 142 5.026 -6.051 4.468 1.00 0.00 H new ATOM 0 HG21 THR A 142 6.030 -4.787 6.067 1.00 0.00 H new ATOM 0 HG22 THR A 142 7.802 -4.950 6.057 1.00 0.00 H new ATOM 0 HG23 THR A 142 6.930 -4.625 4.540 1.00 0.00 H new ATOM 1509 N LEU A 143 10.155 -6.608 5.210 1.00 0.00 N ATOM 1510 CA LEU A 143 11.352 -6.732 6.014 1.00 0.00 C ATOM 1511 C LEU A 143 11.077 -6.178 7.419 1.00 0.00 C ATOM 1512 O LEU A 143 9.940 -5.820 7.734 1.00 0.00 O ATOM 1513 CB LEU A 143 12.540 -6.001 5.364 1.00 0.00 C ATOM 1514 CG LEU A 143 12.755 -6.199 3.844 1.00 0.00 C ATOM 1515 CD1 LEU A 143 12.511 -7.633 3.388 1.00 0.00 C ATOM 1516 CD2 LEU A 143 11.895 -5.239 3.054 1.00 0.00 C ATOM 0 H LEU A 143 10.192 -5.867 4.510 1.00 0.00 H new ATOM 0 HA LEU A 143 11.620 -7.786 6.086 1.00 0.00 H new ATOM 0 HB2 LEU A 143 12.421 -4.934 5.551 1.00 0.00 H new ATOM 0 HB3 LEU A 143 13.449 -6.315 5.876 1.00 0.00 H new ATOM 0 HG LEU A 143 13.806 -5.984 3.650 1.00 0.00 H new ATOM 0 HD11 LEU A 143 12.678 -7.706 2.313 1.00 0.00 H new ATOM 0 HD12 LEU A 143 13.197 -8.302 3.908 1.00 0.00 H new ATOM 0 HD13 LEU A 143 11.484 -7.917 3.616 1.00 0.00 H new ATOM 0 HD21 LEU A 143 12.061 -5.395 1.988 1.00 0.00 H new ATOM 0 HD22 LEU A 143 10.845 -5.415 3.287 1.00 0.00 H new ATOM 0 HD23 LEU A 143 12.158 -4.214 3.316 1.00 0.00 H new ATOM 1528 N ARG A 144 12.104 -6.078 8.249 1.00 0.00 N ATOM 1529 CA ARG A 144 11.907 -5.769 9.663 1.00 0.00 C ATOM 1530 C ARG A 144 11.427 -4.332 9.882 1.00 0.00 C ATOM 1531 O ARG A 144 10.431 -4.110 10.569 1.00 0.00 O ATOM 1532 CB ARG A 144 13.192 -6.023 10.447 1.00 0.00 C ATOM 1533 CG ARG A 144 12.956 -6.408 11.900 1.00 0.00 C ATOM 1534 CD ARG A 144 12.059 -7.639 12.016 1.00 0.00 C ATOM 1535 NE ARG A 144 12.529 -8.747 11.180 1.00 0.00 N ATOM 1536 CZ ARG A 144 11.723 -9.603 10.545 1.00 0.00 C ATOM 1537 NH1 ARG A 144 10.405 -9.506 10.678 1.00 0.00 N1+ ATOM 1538 NH2 ARG A 144 12.232 -10.563 9.784 1.00 0.00 N ATOM 0 H ARG A 144 13.078 -6.205 7.973 1.00 0.00 H new ATOM 0 HA ARG A 144 11.124 -6.432 10.031 1.00 0.00 H new ATOM 0 HB2 ARG A 144 13.755 -6.817 9.957 1.00 0.00 H new ATOM 0 HB3 ARG A 144 13.811 -5.126 10.414 1.00 0.00 H new ATOM 0 HG2 ARG A 144 13.912 -6.607 12.384 1.00 0.00 H new ATOM 0 HG3 ARG A 144 12.498 -5.572 12.429 1.00 0.00 H new ATOM 0 HD2 ARG A 144 12.021 -7.962 13.056 1.00 0.00 H new ATOM 0 HD3 ARG A 144 11.042 -7.374 11.727 1.00 0.00 H new ATOM 0 HE ARG A 144 13.536 -8.873 11.076 1.00 0.00 H new ATOM 0 HH11 ARG A 144 10.004 -8.776 11.267 1.00 0.00 H new ATOM 0 HH12 ARG A 144 9.794 -10.162 10.191 1.00 0.00 H new ATOM 0 HH21 ARG A 144 13.243 -10.650 9.681 1.00 0.00 H new ATOM 0 HH22 ARG A 144 11.612 -11.214 9.301 1.00 0.00 H new ATOM 1552 N ARG A 145 12.134 -3.363 9.310 1.00 0.00 N ATOM 1553 CA ARG A 145 11.781 -1.953 9.485 1.00 0.00 C ATOM 1554 C ARG A 145 10.429 -1.666 8.855 1.00 0.00 C ATOM 1555 O ARG A 145 9.470 -1.312 9.539 1.00 0.00 O ATOM 1556 CB ARG A 145 12.836 -1.053 8.835 1.00 0.00 C ATOM 1557 CG ARG A 145 12.970 0.342 9.451 1.00 0.00 C ATOM 1558 CD ARG A 145 11.671 1.148 9.461 1.00 0.00 C ATOM 1559 NE ARG A 145 10.794 0.787 10.576 1.00 0.00 N ATOM 1560 CZ ARG A 145 10.691 1.486 11.707 1.00 0.00 C ATOM 1561 NH1 ARG A 145 11.450 2.555 11.904 1.00 0.00 N1+ ATOM 1562 NH2 ARG A 145 9.831 1.107 12.644 1.00 0.00 N ATOM 0 H ARG A 145 12.952 -3.524 8.723 1.00 0.00 H new ATOM 0 HA ARG A 145 11.737 -1.745 10.554 1.00 0.00 H new ATOM 0 HB2 ARG A 145 13.803 -1.553 8.893 1.00 0.00 H new ATOM 0 HB3 ARG A 145 12.596 -0.944 7.777 1.00 0.00 H new ATOM 0 HG2 ARG A 145 13.331 0.242 10.475 1.00 0.00 H new ATOM 0 HG3 ARG A 145 13.727 0.900 8.899 1.00 0.00 H new ATOM 0 HD2 ARG A 145 11.907 2.211 9.519 1.00 0.00 H new ATOM 0 HD3 ARG A 145 11.142 0.990 8.521 1.00 0.00 H new ATOM 0 HE ARG A 145 10.225 -0.054 10.482 1.00 0.00 H new ATOM 0 HH11 ARG A 145 12.116 2.846 11.189 1.00 0.00 H new ATOM 0 HH12 ARG A 145 11.367 3.086 12.771 1.00 0.00 H new ATOM 0 HH21 ARG A 145 9.250 0.282 12.499 1.00 0.00 H new ATOM 0 HH22 ARG A 145 9.752 1.641 13.509 1.00 0.00 H new ATOM 1576 N VAL A 146 10.398 -1.808 7.545 1.00 0.00 N ATOM 1577 CA VAL A 146 9.238 -1.474 6.728 1.00 0.00 C ATOM 1578 C VAL A 146 7.950 -2.044 7.297 1.00 0.00 C ATOM 1579 O VAL A 146 7.914 -3.201 7.725 1.00 0.00 O ATOM 1580 CB VAL A 146 9.394 -2.022 5.298 1.00 0.00 C ATOM 1581 CG1 VAL A 146 9.393 -0.903 4.280 1.00 0.00 C ATOM 1582 CG2 VAL A 146 10.655 -2.842 5.170 1.00 0.00 C ATOM 0 H VAL A 146 11.187 -2.164 7.006 1.00 0.00 H new ATOM 0 HA VAL A 146 9.182 -0.385 6.721 1.00 0.00 H new ATOM 0 HB VAL A 146 8.538 -2.667 5.098 1.00 0.00 H new ATOM 0 HG11 VAL A 146 9.505 -1.321 3.280 1.00 0.00 H new ATOM 0 HG12 VAL A 146 8.452 -0.356 4.342 1.00 0.00 H new ATOM 0 HG13 VAL A 146 10.221 -0.225 4.484 1.00 0.00 H new ATOM 0 HG21 VAL A 146 10.743 -3.218 4.151 1.00 0.00 H new ATOM 0 HG22 VAL A 146 11.519 -2.219 5.403 1.00 0.00 H new ATOM 0 HG23 VAL A 146 10.615 -3.681 5.864 1.00 0.00 H new ATOM 1592 N ARG A 147 6.886 -1.246 7.289 1.00 0.00 N ATOM 1593 CA ARG A 147 5.601 -1.727 7.758 1.00 0.00 C ATOM 1594 C ARG A 147 4.474 -0.744 7.441 1.00 0.00 C ATOM 1595 O ARG A 147 4.306 0.263 8.125 1.00 0.00 O ATOM 1596 CB ARG A 147 5.674 -1.982 9.260 1.00 0.00 C ATOM 1597 CG ARG A 147 4.857 -3.169 9.715 1.00 0.00 C ATOM 1598 CD ARG A 147 5.159 -4.410 8.881 1.00 0.00 C ATOM 1599 NE ARG A 147 4.853 -5.626 9.614 1.00 0.00 N ATOM 1600 CZ ARG A 147 5.769 -6.508 10.007 1.00 0.00 C ATOM 1601 NH1 ARG A 147 7.048 -6.359 9.662 1.00 0.00 N1+ ATOM 1602 NH2 ARG A 147 5.403 -7.545 10.740 1.00 0.00 N ATOM 0 H ARG A 147 6.892 -0.278 6.967 1.00 0.00 H new ATOM 0 HA ARG A 147 5.374 -2.656 7.236 1.00 0.00 H new ATOM 0 HB2 ARG A 147 6.715 -2.139 9.543 1.00 0.00 H new ATOM 0 HB3 ARG A 147 5.331 -1.092 9.788 1.00 0.00 H new ATOM 0 HG2 ARG A 147 5.067 -3.375 10.765 1.00 0.00 H new ATOM 0 HG3 ARG A 147 3.796 -2.931 9.643 1.00 0.00 H new ATOM 0 HD2 ARG A 147 4.577 -4.382 7.960 1.00 0.00 H new ATOM 0 HD3 ARG A 147 6.211 -4.411 8.594 1.00 0.00 H new ATOM 0 HE ARG A 147 3.877 -5.816 9.841 1.00 0.00 H new ATOM 0 HH11 ARG A 147 7.333 -5.563 9.091 1.00 0.00 H new ATOM 0 HH12 ARG A 147 7.742 -7.041 9.969 1.00 0.00 H new ATOM 0 HH21 ARG A 147 4.424 -7.665 11.001 1.00 0.00 H new ATOM 0 HH22 ARG A 147 6.099 -8.225 11.045 1.00 0.00 H new ATOM 1616 N ILE A 148 3.714 -1.042 6.394 1.00 0.00 N ATOM 1617 CA ILE A 148 2.535 -0.255 6.055 1.00 0.00 C ATOM 1618 C ILE A 148 1.336 -0.767 6.834 1.00 0.00 C ATOM 1619 O ILE A 148 0.781 -1.805 6.499 1.00 0.00 O ATOM 1620 CB ILE A 148 2.196 -0.317 4.551 1.00 0.00 C ATOM 1621 CG1 ILE A 148 3.317 0.283 3.709 1.00 0.00 C ATOM 1622 CG2 ILE A 148 0.888 0.411 4.270 1.00 0.00 C ATOM 1623 CD1 ILE A 148 3.445 1.783 3.842 1.00 0.00 C ATOM 0 H ILE A 148 3.894 -1.824 5.764 1.00 0.00 H new ATOM 0 HA ILE A 148 2.761 0.780 6.314 1.00 0.00 H new ATOM 0 HB ILE A 148 2.085 -1.366 4.277 1.00 0.00 H new ATOM 0 HG12 ILE A 148 4.261 -0.180 3.996 1.00 0.00 H new ATOM 0 HG13 ILE A 148 3.145 0.034 2.662 1.00 0.00 H new ATOM 0 HG21 ILE A 148 0.664 0.358 3.205 1.00 0.00 H new ATOM 0 HG22 ILE A 148 0.082 -0.058 4.834 1.00 0.00 H new ATOM 0 HG23 ILE A 148 0.981 1.455 4.569 1.00 0.00 H new ATOM 0 HD11 ILE A 148 4.263 2.135 3.214 1.00 0.00 H new ATOM 0 HD12 ILE A 148 2.515 2.257 3.527 1.00 0.00 H new ATOM 0 HD13 ILE A 148 3.649 2.040 4.881 1.00 0.00 H new ATOM 1635 N SER A 149 0.962 -0.067 7.888 1.00 0.00 N ATOM 1636 CA SER A 149 -0.235 -0.417 8.633 1.00 0.00 C ATOM 1637 C SER A 149 -1.433 0.305 8.033 1.00 0.00 C ATOM 1638 O SER A 149 -1.477 1.523 8.059 1.00 0.00 O ATOM 1639 CB SER A 149 -0.063 -0.058 10.104 1.00 0.00 C ATOM 1640 OG SER A 149 1.074 -0.705 10.649 1.00 0.00 O ATOM 0 H SER A 149 1.466 0.744 8.247 1.00 0.00 H new ATOM 0 HA SER A 149 -0.404 -1.492 8.567 1.00 0.00 H new ATOM 0 HB2 SER A 149 0.042 1.022 10.210 1.00 0.00 H new ATOM 0 HB3 SER A 149 -0.954 -0.348 10.661 1.00 0.00 H new ATOM 0 HG SER A 149 1.168 -0.461 11.593 1.00 0.00 H new ATOM 1646 N ALA A 150 -2.383 -0.449 7.476 1.00 0.00 N ATOM 1647 CA ALA A 150 -3.469 0.116 6.662 1.00 0.00 C ATOM 1648 C ALA A 150 -4.152 1.280 7.342 1.00 0.00 C ATOM 1649 O ALA A 150 -4.175 2.380 6.799 1.00 0.00 O ATOM 1650 CB ALA A 150 -4.493 -0.952 6.315 1.00 0.00 C ATOM 0 H ALA A 150 -2.424 -1.463 7.574 1.00 0.00 H new ATOM 0 HA ALA A 150 -3.012 0.490 5.746 1.00 0.00 H new ATOM 0 HB1 ALA A 150 -5.288 -0.512 5.712 1.00 0.00 H new ATOM 0 HB2 ALA A 150 -4.010 -1.750 5.751 1.00 0.00 H new ATOM 0 HB3 ALA A 150 -4.917 -1.361 7.232 1.00 0.00 H new ATOM 1656 N ASP A 151 -4.683 1.042 8.530 1.00 0.00 N ATOM 1657 CA ASP A 151 -5.377 2.083 9.277 1.00 0.00 C ATOM 1658 C ASP A 151 -4.477 3.299 9.466 1.00 0.00 C ATOM 1659 O ASP A 151 -4.918 4.430 9.299 1.00 0.00 O ATOM 1660 CB ASP A 151 -5.851 1.545 10.631 1.00 0.00 C ATOM 1661 CG ASP A 151 -4.705 1.129 11.527 1.00 0.00 C ATOM 1662 OD1 ASP A 151 -4.333 1.913 12.422 1.00 0.00 O ATOM 1663 OD2 ASP A 151 -4.159 0.023 11.324 1.00 0.00 O1- ATOM 0 H ASP A 151 -4.648 0.137 9.000 1.00 0.00 H new ATOM 0 HA ASP A 151 -6.252 2.393 8.705 1.00 0.00 H new ATOM 0 HB2 ASP A 151 -6.442 2.310 11.135 1.00 0.00 H new ATOM 0 HB3 ASP A 151 -6.508 0.691 10.468 1.00 0.00 H new ATOM 1668 N ALA A 152 -3.206 3.049 9.759 1.00 0.00 N ATOM 1669 CA ALA A 152 -2.221 4.110 9.949 1.00 0.00 C ATOM 1670 C ALA A 152 -1.868 4.785 8.620 1.00 0.00 C ATOM 1671 O ALA A 152 -1.607 5.985 8.568 1.00 0.00 O ATOM 1672 CB ALA A 152 -0.971 3.532 10.593 1.00 0.00 C ATOM 0 H ALA A 152 -2.829 2.108 9.872 1.00 0.00 H new ATOM 0 HA ALA A 152 -2.651 4.869 10.603 1.00 0.00 H new ATOM 0 HB1 ALA A 152 -0.235 4.324 10.735 1.00 0.00 H new ATOM 0 HB2 ALA A 152 -1.227 3.097 11.559 1.00 0.00 H new ATOM 0 HB3 ALA A 152 -0.553 2.760 9.947 1.00 0.00 H new ATOM 1678 N MET A 153 -1.861 3.994 7.557 1.00 0.00 N ATOM 1679 CA MET A 153 -1.606 4.483 6.206 1.00 0.00 C ATOM 1680 C MET A 153 -2.675 5.487 5.818 1.00 0.00 C ATOM 1681 O MET A 153 -2.406 6.527 5.211 1.00 0.00 O ATOM 1682 CB MET A 153 -1.627 3.299 5.230 1.00 0.00 C ATOM 1683 CG MET A 153 -1.111 3.607 3.834 1.00 0.00 C ATOM 1684 SD MET A 153 0.585 4.224 3.831 1.00 0.00 S ATOM 1685 CE MET A 153 0.370 5.957 4.240 1.00 0.00 C ATOM 0 H MET A 153 -2.033 2.990 7.606 1.00 0.00 H new ATOM 0 HA MET A 153 -0.631 4.969 6.169 1.00 0.00 H new ATOM 0 HB2 MET A 153 -1.030 2.490 5.651 1.00 0.00 H new ATOM 0 HB3 MET A 153 -2.650 2.932 5.150 1.00 0.00 H new ATOM 0 HG2 MET A 153 -1.165 2.704 3.225 1.00 0.00 H new ATOM 0 HG3 MET A 153 -1.762 4.346 3.367 1.00 0.00 H new ATOM 0 HE1 MET A 153 0.886 6.572 3.503 1.00 0.00 H new ATOM 0 HE2 MET A 153 -0.692 6.202 4.237 1.00 0.00 H new ATOM 0 HE3 MET A 153 0.785 6.152 5.229 1.00 0.00 H new ATOM 1695 N MET A 154 -3.892 5.156 6.195 1.00 0.00 N ATOM 1696 CA MET A 154 -5.043 5.998 5.950 1.00 0.00 C ATOM 1697 C MET A 154 -4.922 7.289 6.749 1.00 0.00 C ATOM 1698 O MET A 154 -5.409 8.339 6.335 1.00 0.00 O ATOM 1699 CB MET A 154 -6.311 5.232 6.330 1.00 0.00 C ATOM 1700 CG MET A 154 -6.415 3.851 5.696 1.00 0.00 C ATOM 1701 SD MET A 154 -6.973 3.889 3.991 1.00 0.00 S ATOM 1702 CE MET A 154 -5.413 4.175 3.182 1.00 0.00 C ATOM 0 H MET A 154 -4.112 4.288 6.684 1.00 0.00 H new ATOM 0 HA MET A 154 -5.094 6.262 4.894 1.00 0.00 H new ATOM 0 HB2 MET A 154 -6.348 5.126 7.414 1.00 0.00 H new ATOM 0 HB3 MET A 154 -7.180 5.821 6.037 1.00 0.00 H new ATOM 0 HG2 MET A 154 -5.441 3.365 5.741 1.00 0.00 H new ATOM 0 HG3 MET A 154 -7.103 3.241 6.282 1.00 0.00 H new ATOM 0 HE1 MET A 154 -5.465 3.816 2.154 1.00 0.00 H new ATOM 0 HE2 MET A 154 -5.193 5.243 3.183 1.00 0.00 H new ATOM 0 HE3 MET A 154 -4.625 3.641 3.713 1.00 0.00 H new ATOM 1712 N GLN A 155 -4.235 7.214 7.884 1.00 0.00 N ATOM 1713 CA GLN A 155 -4.006 8.381 8.715 1.00 0.00 C ATOM 1714 C GLN A 155 -2.967 9.293 8.076 1.00 0.00 C ATOM 1715 O GLN A 155 -3.238 10.462 7.801 1.00 0.00 O ATOM 1716 CB GLN A 155 -3.517 7.973 10.093 1.00 0.00 C ATOM 1717 CG GLN A 155 -4.285 6.823 10.709 1.00 0.00 C ATOM 1718 CD GLN A 155 -3.923 6.585 12.157 1.00 0.00 C ATOM 1719 OE1 GLN A 155 -3.575 7.516 12.885 1.00 0.00 O ATOM 1720 NE2 GLN A 155 -4.001 5.338 12.586 1.00 0.00 N ATOM 0 H GLN A 155 -3.828 6.352 8.247 1.00 0.00 H new ATOM 0 HA GLN A 155 -4.953 8.912 8.810 1.00 0.00 H new ATOM 0 HB2 GLN A 155 -2.465 7.698 10.026 1.00 0.00 H new ATOM 0 HB3 GLN A 155 -3.579 8.834 10.758 1.00 0.00 H new ATOM 0 HG2 GLN A 155 -5.354 7.025 10.635 1.00 0.00 H new ATOM 0 HG3 GLN A 155 -4.092 5.915 10.137 1.00 0.00 H new ATOM 0 HE21 GLN A 155 -4.294 4.597 11.949 1.00 0.00 H new ATOM 0 HE22 GLN A 155 -3.768 5.116 13.554 1.00 0.00 H new ATOM 1729 N ALA A 156 -1.776 8.735 7.837 1.00 0.00 N ATOM 1730 CA ALA A 156 -0.645 9.496 7.305 1.00 0.00 C ATOM 1731 C ALA A 156 -1.006 10.225 6.020 1.00 0.00 C ATOM 1732 O ALA A 156 -0.801 11.428 5.906 1.00 0.00 O ATOM 1733 CB ALA A 156 0.559 8.587 7.068 1.00 0.00 C ATOM 0 H ALA A 156 -1.571 7.750 8.006 1.00 0.00 H new ATOM 0 HA ALA A 156 -0.384 10.244 8.054 1.00 0.00 H new ATOM 0 HB1 ALA A 156 1.387 9.175 6.673 1.00 0.00 H new ATOM 0 HB2 ALA A 156 0.858 8.127 8.010 1.00 0.00 H new ATOM 0 HB3 ALA A 156 0.292 7.809 6.352 1.00 0.00 H new ATOM 1739 N LEU A 157 -1.554 9.495 5.063 1.00 0.00 N ATOM 1740 CA LEU A 157 -1.859 10.082 3.764 1.00 0.00 C ATOM 1741 C LEU A 157 -3.125 10.888 3.795 1.00 0.00 C ATOM 1742 O LEU A 157 -3.103 12.108 3.648 1.00 0.00 O ATOM 1743 CB LEU A 157 -2.058 8.999 2.728 1.00 0.00 C ATOM 1744 CG LEU A 157 -0.838 8.192 2.367 1.00 0.00 C ATOM 1745 CD1 LEU A 157 -1.236 6.976 1.560 1.00 0.00 C ATOM 1746 CD2 LEU A 157 0.105 9.038 1.565 1.00 0.00 C ATOM 0 H LEU A 157 -1.795 8.508 5.156 1.00 0.00 H new ATOM 0 HA LEU A 157 -1.014 10.724 3.514 1.00 0.00 H new ATOM 0 HB2 LEU A 157 -2.826 8.316 3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 157 -2.445 9.461 1.819 1.00 0.00 H new ATOM 0 HG LEU A 157 -0.347 7.865 3.283 1.00 0.00 H new ATOM 0 HD11 LEU A 157 -0.346 6.401 1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 157 -1.913 6.355 2.147 1.00 0.00 H new ATOM 0 HD13 LEU A 157 -1.736 7.294 0.645 1.00 0.00 H new ATOM 0 HD21 LEU A 157 0.987 8.453 1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 157 -0.391 9.372 0.654 1.00 0.00 H new ATOM 0 HD23 LEU A 157 0.406 9.905 2.153 1.00 0.00 H new ATOM 1758 N LEU A 158 -4.221 10.198 4.014 1.00 0.00 N ATOM 1759 CA LEU A 158 -5.519 10.711 3.650 1.00 0.00 C ATOM 1760 C LEU A 158 -5.915 11.920 4.469 1.00 0.00 C ATOM 1761 O LEU A 158 -6.265 12.941 3.888 1.00 0.00 O ATOM 1762 CB LEU A 158 -6.548 9.607 3.769 1.00 0.00 C ATOM 1763 CG LEU A 158 -6.331 8.443 2.824 1.00 0.00 C ATOM 1764 CD1 LEU A 158 -7.265 7.297 3.176 1.00 0.00 C ATOM 1765 CD2 LEU A 158 -6.549 8.876 1.386 1.00 0.00 C ATOM 0 H LEU A 158 -4.237 9.274 4.446 1.00 0.00 H new ATOM 0 HA LEU A 158 -5.470 11.050 2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -6.545 9.233 4.793 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -7.537 10.028 3.586 1.00 0.00 H new ATOM 0 HG LEU A 158 -5.301 8.101 2.929 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -7.098 6.467 2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -7.069 6.968 4.196 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -8.299 7.632 3.095 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -6.389 8.027 0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -7.569 9.242 1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -5.846 9.671 1.135 1.00 0.00 H new ATOM 1777 N GLY A 159 -5.806 11.813 5.798 1.00 0.00 N ATOM 1778 CA GLY A 159 -6.212 12.905 6.681 1.00 0.00 C ATOM 1779 C GLY A 159 -7.547 13.495 6.278 1.00 0.00 C ATOM 1780 O GLY A 159 -8.594 12.975 6.651 1.00 0.00 O ATOM 0 H GLY A 159 -5.444 10.990 6.279 1.00 0.00 H new ATOM 0 HA2 GLY A 159 -6.272 12.539 7.706 1.00 0.00 H new ATOM 0 HA3 GLY A 159 -5.451 13.686 6.665 1.00 0.00 H new ATOM 1784 N ALA A 160 -7.485 14.574 5.498 1.00 0.00 N ATOM 1785 CA ALA A 160 -8.644 15.135 4.805 1.00 0.00 C ATOM 1786 C ALA A 160 -9.573 14.048 4.310 1.00 0.00 C ATOM 1787 O ALA A 160 -10.760 14.003 4.624 1.00 0.00 O ATOM 1788 CB ALA A 160 -8.165 15.896 3.578 1.00 0.00 C ATOM 0 H ALA A 160 -6.620 15.088 5.328 1.00 0.00 H new ATOM 0 HA ALA A 160 -9.171 15.778 5.510 1.00 0.00 H new ATOM 0 HB1 ALA A 160 -9.022 16.318 3.054 1.00 0.00 H new ATOM 0 HB2 ALA A 160 -7.496 16.700 3.886 1.00 0.00 H new ATOM 0 HB3 ALA A 160 -7.632 15.216 2.913 1.00 0.00 H new ATOM 1794 N ARG A 161 -8.975 13.157 3.552 1.00 0.00 N ATOM 1795 CA ARG A 161 -9.690 12.172 2.787 1.00 0.00 C ATOM 1796 C ARG A 161 -9.905 10.897 3.599 1.00 0.00 C ATOM 1797 O ARG A 161 -10.415 9.901 3.089 1.00 0.00 O ATOM 1798 CB ARG A 161 -8.903 11.900 1.522 1.00 0.00 C ATOM 1799 CG ARG A 161 -8.400 13.166 0.852 1.00 0.00 C ATOM 1800 CD ARG A 161 -7.511 12.867 -0.339 1.00 0.00 C ATOM 1801 NE ARG A 161 -8.255 12.448 -1.524 1.00 0.00 N ATOM 1802 CZ ARG A 161 -7.695 12.285 -2.723 1.00 0.00 C ATOM 1803 NH1 ARG A 161 -6.395 12.511 -2.884 1.00 0.00 N1+ ATOM 1804 NH2 ARG A 161 -8.432 11.892 -3.754 1.00 0.00 N ATOM 0 H ARG A 161 -7.962 13.099 3.451 1.00 0.00 H new ATOM 0 HA ARG A 161 -10.681 12.545 2.528 1.00 0.00 H new ATOM 0 HB2 ARG A 161 -8.054 11.259 1.760 1.00 0.00 H new ATOM 0 HB3 ARG A 161 -9.531 11.350 0.821 1.00 0.00 H new ATOM 0 HG2 ARG A 161 -9.250 13.766 0.528 1.00 0.00 H new ATOM 0 HG3 ARG A 161 -7.846 13.763 1.576 1.00 0.00 H new ATOM 0 HD2 ARG A 161 -6.927 13.755 -0.580 1.00 0.00 H new ATOM 0 HD3 ARG A 161 -6.803 12.084 -0.068 1.00 0.00 H new ATOM 0 HE ARG A 161 -9.255 12.271 -1.429 1.00 0.00 H new ATOM 0 HH11 ARG A 161 -5.827 12.809 -2.091 1.00 0.00 H new ATOM 0 HH12 ARG A 161 -5.965 12.387 -3.801 1.00 0.00 H new ATOM 0 HH21 ARG A 161 -9.429 11.714 -3.630 1.00 0.00 H new ATOM 0 HH22 ARG A 161 -8.002 11.768 -4.671 1.00 0.00 H new ATOM 1818 N ALA A 162 -9.514 10.933 4.874 1.00 0.00 N ATOM 1819 CA ALA A 162 -9.691 9.787 5.758 1.00 0.00 C ATOM 1820 C ALA A 162 -11.096 9.772 6.346 1.00 0.00 C ATOM 1821 O ALA A 162 -11.549 8.758 6.882 1.00 0.00 O ATOM 1822 CB ALA A 162 -8.648 9.791 6.868 1.00 0.00 C ATOM 0 H ALA A 162 -9.074 11.742 5.313 1.00 0.00 H new ATOM 0 HA ALA A 162 -9.556 8.881 5.167 1.00 0.00 H new ATOM 0 HB1 ALA A 162 -8.801 8.927 7.514 1.00 0.00 H new ATOM 0 HB2 ALA A 162 -7.651 9.745 6.430 1.00 0.00 H new ATOM 0 HB3 ALA A 162 -8.745 10.704 7.455 1.00 0.00 H new ATOM 1828 N LYS A 163 -11.790 10.895 6.237 1.00 0.00 N ATOM 1829 CA LYS A 163 -13.156 10.997 6.730 1.00 0.00 C ATOM 1830 C LYS A 163 -13.967 11.892 5.807 1.00 0.00 C ATOM 1831 O LYS A 163 -13.436 12.431 4.837 1.00 0.00 O ATOM 1832 CB LYS A 163 -13.187 11.540 8.170 1.00 0.00 C ATOM 1833 CG LYS A 163 -13.130 13.067 8.297 1.00 0.00 C ATOM 1834 CD LYS A 163 -11.797 13.644 7.845 1.00 0.00 C ATOM 1835 CE LYS A 163 -10.641 13.152 8.702 1.00 0.00 C ATOM 1836 NZ LYS A 163 -10.762 13.580 10.120 1.00 0.00 N1+ ATOM 0 H LYS A 163 -11.430 11.749 5.811 1.00 0.00 H new ATOM 0 HA LYS A 163 -13.596 10.000 6.742 1.00 0.00 H new ATOM 0 HB2 LYS A 163 -14.097 11.186 8.655 1.00 0.00 H new ATOM 0 HB3 LYS A 163 -12.347 11.115 8.719 1.00 0.00 H new ATOM 0 HG2 LYS A 163 -13.932 13.507 7.704 1.00 0.00 H new ATOM 0 HG3 LYS A 163 -13.310 13.348 9.335 1.00 0.00 H new ATOM 0 HD2 LYS A 163 -11.618 13.371 6.805 1.00 0.00 H new ATOM 0 HD3 LYS A 163 -11.841 14.732 7.886 1.00 0.00 H new ATOM 0 HE2 LYS A 163 -10.597 12.064 8.657 1.00 0.00 H new ATOM 0 HE3 LYS A 163 -9.703 13.527 8.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 -9.877 13.369 10.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 -10.947 14.603 10.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 -11.547 13.068 10.571 1.00 0.00 H new ATOM 1850 N GLY A 164 -15.247 12.048 6.101 1.00 0.00 N ATOM 1851 CA GLY A 164 -16.075 12.906 5.293 1.00 0.00 C ATOM 1852 C GLY A 164 -16.942 13.824 6.124 1.00 0.00 C ATOM 1853 O GLY A 164 -18.168 13.787 6.023 1.00 0.00 O ATOM 0 H GLY A 164 -15.723 11.597 6.882 1.00 0.00 H new ATOM 0 HA2 GLY A 164 -15.442 13.504 4.638 1.00 0.00 H new ATOM 0 HA3 GLY A 164 -16.710 12.294 4.652 1.00 0.00 H new ATOM 1857 N HIS A 165 -16.305 14.633 6.958 1.00 0.00 N ATOM 1858 CA HIS A 165 -17.005 15.617 7.773 1.00 0.00 C ATOM 1859 C HIS A 165 -16.006 16.636 8.302 1.00 0.00 C ATOM 1860 O HIS A 165 -16.214 17.845 8.088 1.00 0.00 O ATOM 1861 CB HIS A 165 -17.786 14.961 8.931 1.00 0.00 C ATOM 1862 CG HIS A 165 -16.934 14.346 10.008 1.00 0.00 C ATOM 1863 ND1 HIS A 165 -16.553 15.024 11.145 1.00 0.00 N ATOM 1864 CD2 HIS A 165 -16.398 13.109 10.117 1.00 0.00 C ATOM 1865 CE1 HIS A 165 -15.821 14.232 11.904 1.00 0.00 C ATOM 1866 NE2 HIS A 165 -15.711 13.064 11.304 1.00 0.00 N ATOM 1867 OXT HIS A 165 -14.988 16.215 8.887 1.00 0.00 O ATOM 0 H HIS A 165 -15.293 14.627 7.089 1.00 0.00 H new ATOM 0 HA HIS A 165 -17.741 16.120 7.145 1.00 0.00 H new ATOM 0 HB2 HIS A 165 -18.432 15.713 9.385 1.00 0.00 H new ATOM 0 HB3 HIS A 165 -18.436 14.189 8.519 1.00 0.00 H new ATOM 0 HD2 HIS A 165 -16.493 12.305 9.402 1.00 0.00 H new ATOM 0 HE1 HIS A 165 -15.385 14.496 12.856 1.00 0.00 H new ATOM 0 HE2 HIS A 165 -15.199 12.258 11.663 1.00 0.00 H new TER 1876 HIS A 165